N-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide

C25H34N6O5 — CID 121409469

IUPACN-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCOC[C@H](C)Oc1nc(C(=O)N[C@H](C)CO)cc(N2CCC(c3c[nH]c4nccc(OC)c34)CC2)n1
InChIInChI=1S/C25H34N6O5/c1-15(13-32)28-24(33)19-11-21(30-25(29-19)36-16(2)14-34-3)31-9-6-17(7-10-31)18-12-27-23-22(18)20(35-4)5-8-26-23/h5,8,11-12,15-17,32H,6-7,9-10,13-14H2,1-4H3,(H,26,27)(H,28,33)/t15-,16+/m1/s1
InChIKeyCCOWVJNXYNZSFQ-CVEARBPZSA-N
MW498.58 g/mol
LogP2.27
Rot. Bonds10

About N-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 121409469) has the molecular formula C25H34N6O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID121409469
Molecular FormulaC25H34N6O5
Molecular Weight498.58 g/mol
Exact Mass498.26
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCOC[C@H](C)Oc1nc(C(=O)N[C@H](C)CO)cc(N2CCC(c3c[nH]c4nccc(OC)c34)CC2)n1
InChIInChI=1S/C25H34N6O5/c1-15(13-32)28-24(33)19-11-21(30-25(29-19)36-16(2)14-34-3)31-9-6-17(7-10-31)18-12-27-23-22(18)20(35-4)5-8-26-23/h5,8,11-12,15-17,32H,6-7,9-10,13-14H2,1-4H3,(H,26,27)(H,28,33)/t15-,16+/m1/s1
InChIKeyCCOWVJNXYNZSFQ-CVEARBPZSA-N
XLogP2.27
TPSA134.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52936150
(6S)-6-benzyl-1-[(3-methoxyphenyl)methyl]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-2-one
CID 122600989
6-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-4-carboxamide
CID 127034162
US9593097, Example 462
CID 121409134
US9593097, Example 430
CID 121409137
US9593097, Example 490
CID 121409317
US9593097, Example 422
CID 121409451
US9593097, Example 432
CID 121409573
US9593097, Example 429
CID 121409849
8-(2-aminopyrimidin-4-yl)-13-(benzylamino)-N-[2-(dimethylamino)ethyl]-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaene-11-carboxamide
CID 11569774
N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 44535209
1-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
CID 90412807

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide (CID 121409469) is N-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is COC[C@H](C)Oc1nc(C(=O)N[C@H](C)CO)cc(N2CCC(c3c[nH]c4nccc(OC)c34)CC2)n1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is CCOWVJNXYNZSFQ-CVEARBPZSA-N. The full InChI is InChI=1S/C25H34N6O5/c1-15(13-32)28-24(33)19-11-21(30-25(29-19)36-16(2)14-34-3)31-9-6-17(7-10-31)18-12-27-23-22(18)20(35-4)5-8-26-23/h5,8,11-12,15-17,32H,6-7,9-10,13-14H2,1-4H3,(H,26,27)(H,28,33)/t15-,16+/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 2.27, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-2-[(2S)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).