4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol

C78H109N17O9 — CID 157195051

IUPAC4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
SMILESCOC[C@H](C)Nc1ncc2c(-c3ccnc(OC(C)C)c3)cc(C3CCC(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3ccnc(OC4CCCN(C)C4)c3)cc(C3CCC(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3ccnc(OC4CCN(C)CC4)c3)cc(C3CCC(O)CC3)n2n1
InChIInChI=1S/2C27H38N6O3.C24H33N5O3/c1-18(17-35-3)30-27-29-16-25-23(15-24(33(25)31-27)19-4-6-21(34)7-5-19)20-8-11-28-26(14-20)36-22-9-12-32(2)13-10-22;1-18(17-35-3)30-27-29-15-25-23(14-24(33(25)31-27)19-6-8-21(34)9-7-19)20-10-11-28-26(13-20)36-22-5-4-12-32(2)16-22;1-15(2)32-23-11-18(9-10-25-23)20-12-21(17-5-7-19(30)8-6-17)29-22(20)13-26-24(28-29)27-16(3)14-31-4/h8,11,14-16,18-19,21-22,34H,4-7,9-10,12-13,17H2,1-3H3,(H,30,31);10-11,13-15,18-19,21-22,34H,4-9,12,16-17H2,1-3H3,(H,30,31);9-13,15-17,19,30H,5-8,14H2,1-4H3,(H,27,28)/t18-,19?,21?;18-,19?,21?,22?;16-,17?,19?/m000/s1
InChIKeyAQDKXAGWXHCDAJ-XZLJELFLSA-N
MW1428.84 g/mol
LogP11.50
Rot. Bonds24

About 4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol

4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol (PubChem CID 157195051) has the molecular formula C78H109N17O9 and a molecular weight of 1428.84 g/mol. Its IUPAC name is 4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
PubChem CID157195051
Molecular FormulaC78H109N17O9
Molecular Weight1428.84 g/mol
Exact Mass1427.86
IUPAC Name4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
SMILESCOC[C@H](C)Nc1ncc2c(-c3ccnc(OC(C)C)c3)cc(C3CCC(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3ccnc(OC4CCCN(C)C4)c3)cc(C3CCC(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3ccnc(OC4CCN(C)CC4)c3)cc(C3CCC(O)CC3)n2n1
InChIInChI=1S/2C27H38N6O3.C24H33N5O3/c1-18(17-35-3)30-27-29-16-25-23(15-24(33(25)31-27)19-4-6-21(34)7-5-19)20-8-11-28-26(14-20)36-22-9-12-32(2)13-10-22;1-18(17-35-3)30-27-29-15-25-23(14-24(33(25)31-27)19-6-8-21(34)9-7-19)20-10-11-28-26(13-20)36-22-5-4-12-32(2)16-22;1-15(2)32-23-11-18(9-10-25-23)20-12-21(17-5-7-19(30)8-6-17)29-22(20)13-26-24(28-29)27-16(3)14-31-4/h8,11,14-16,18-19,21-22,34H,4-7,9-10,12-13,17H2,1-3H3,(H,30,31);10-11,13-15,18-19,21-22,34H,4-9,12,16-17H2,1-3H3,(H,30,31);9-13,15-17,19,30H,5-8,14H2,1-4H3,(H,27,28)/t18-,19?,21?;18-,19?,21?,22?;16-,17?,19?/m000/s1
InChIKeyAQDKXAGWXHCDAJ-XZLJELFLSA-N
XLogP11.50
TPSA287.88 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001428.84
LogP ≤ 511.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[4-[4-[[7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]propan-2-ol
CID 57390492
WO2022090481, Example I-029
CID 164514169
US10544143, Example 607
CID 138686310
WO2022090481, Example I-025
CID 163273347
(3R,4R,5S)-3-amino-1-[3-[[2-[2,6-difluoro-4-(oxan-4-yloxy)phenyl]imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-5-methylpiperidin-4-ol
CID 76684168
(3R,4R,5S)-3-amino-1-[3-[[2-(2,6-difluoro-4-propan-2-yloxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-5-methylpiperidin-4-ol
CID 76684170
(3R,4R,5S)-3-amino-1-[3-[[2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-5-methylpiperidin-4-ol
CID 76684171
(3R,4R,5S)-3-amino-1-[3-[[2-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-5-methylpiperidin-4-ol
CID 90251769
(1S,2R,4R,6S)-2-amino-4-[3-[[2-[2,6-difluoro-4-(oxan-4-yloxy)phenyl]imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-6-methylcyclohexan-1-ol
CID 90251940
3-[(3R,4S,5S)-3-amino-1-[3-[[2-[2,6-difluoro-4-(oxan-4-yloxy)phenyl]imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-5-methylpiperidin-4-yl]oxypropanenitrile
CID 90251959
3-[(3R,4S,5S)-3-amino-1-[3-[[2-(2,6-difluoro-4-propan-2-yloxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-5-methylpiperidin-4-yl]oxypropanenitrile
CID 90251964
(1R,2R,4R,6S)-2-amino-4-[3-[[2-[2,6-difluoro-4-(oxan-4-yloxy)phenyl]imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-6-methylcyclohexan-1-ol
CID 90252319

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol (CID 157195051) is 4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol is COC[C@H](C)Nc1ncc2c(-c3ccnc(OC(C)C)c3)cc(C3CCC(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3ccnc(OC4CCCN(C)C4)c3)cc(C3CCC(O)CC3)n2n1.COC[C@H](C)Nc1ncc2c(-c3ccnc(OC4CCN(C)CC4)c3)cc(C3CCC(O)CC3)n2n1.
What is the InChIKey of 4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol?
The InChIKey is AQDKXAGWXHCDAJ-XZLJELFLSA-N. The full InChI is InChI=1S/2C27H38N6O3.C24H33N5O3/c1-18(17-35-3)30-27-29-16-25-23(15-24(33(25)31-27)19-4-6-21(34)7-5-19)20-8-11-28-26(14-20)36-22-9-12-32(2)13-10-22;1-18(17-35-3)30-27-29-15-25-23(14-24(33(25)31-27)19-6-8-21(34)9-7-19)20-10-11-28-26(13-20)36-22-5-4-12-32(2)16-22;1-15(2)32-23-11-18(9-10-25-23)20-12-21(17-5-7-19(30)8-6-17)29-22(20)13-26-24(28-29)27-16(3)14-31-4/h8,11,14-16,18-19,21-22,34H,4-7,9-10,12-13,17H2,1-3H3,(H,30,31);10-11,13-15,18-19,21-22,34H,4-9,12,16-17H2,1-3H3,(H,30,31);9-13,15-17,19,30H,5-8,14H2,1-4H3,(H,27,28)/t18-,19?,21?;18-,19?,21?,22?;16-,17?,19?/m000/s1.
What are the key properties of 4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol?
4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol has a molecular weight of 1428.84 g/mol, XLogP of 11.50, 24 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-3-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol is sourced from PubChem (CID 157195051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).