N-(2-methoxypyrimidin-4-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

C22H26F3N5O — CID 178040858

IUPACN-(2-methoxypyrimidin-4-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESC/C=C\C(=C/C(=C/CC)C(F)(F)F)c1cc2n(n1)CCCC2Nc1ccnc(OC)n1
InChIInChI=1S/C22H26F3N5O/c1-4-7-15(13-16(8-5-2)22(23,24)25)18-14-19-17(9-6-12-30(19)29-18)27-20-10-11-26-21(28-20)31-3/h4,7-8,10-11,13-14,17H,5-6,9,12H2,1-3H3,(H,26,27,28)/b7-4-,15-13+,16-8-
InChIKeyOPKNSMPVGAQNQJ-ABCSIHOGSA-N
MW433.48 g/mol
LogP5.49
Rot. Bonds7

About N-(2-methoxypyrimidin-4-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

N-(2-methoxypyrimidin-4-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (PubChem CID 178040858) has the molecular formula C22H26F3N5O and a molecular weight of 433.48 g/mol. Its IUPAC name is N-(2-methoxypyrimidin-4-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-methoxypyrimidin-4-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
PubChem CID178040858
Molecular FormulaC22H26F3N5O
Molecular Weight433.48 g/mol
Exact Mass433.21
IUPAC NameN-(2-methoxypyrimidin-4-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESC/C=C\C(=C/C(=C/CC)C(F)(F)F)c1cc2n(n1)CCCC2Nc1ccnc(OC)n1
InChIInChI=1S/C22H26F3N5O/c1-4-7-15(13-16(8-5-2)22(23,24)25)18-14-19-17(9-6-12-30(19)29-18)27-20-10-11-26-21(28-20)31-3/h4,7-8,10-11,13-14,17H,5-6,9,12H2,1-3H3,(H,26,27,28)/b7-4-,15-13+,16-8-
InChIKeyOPKNSMPVGAQNQJ-ABCSIHOGSA-N
XLogP5.49
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypyrimidin-4-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The IUPAC name of N-(2-methoxypyrimidin-4-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (CID 178040858) is N-(2-methoxypyrimidin-4-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.
What is the SMILES notation for N-(2-methoxypyrimidin-4-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The canonical SMILES for N-(2-methoxypyrimidin-4-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is C/C=C\C(=C/C(=C/CC)C(F)(F)F)c1cc2n(n1)CCCC2Nc1ccnc(OC)n1.
What is the InChIKey of N-(2-methoxypyrimidin-4-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The InChIKey is OPKNSMPVGAQNQJ-ABCSIHOGSA-N. The full InChI is InChI=1S/C22H26F3N5O/c1-4-7-15(13-16(8-5-2)22(23,24)25)18-14-19-17(9-6-12-30(19)29-18)27-20-10-11-26-21(28-20)31-3/h4,7-8,10-11,13-14,17H,5-6,9,12H2,1-3H3,(H,26,27,28)/b7-4-,15-13+,16-8-.
What are the key properties of N-(2-methoxypyrimidin-4-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
N-(2-methoxypyrimidin-4-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine has a molecular weight of 433.48 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypyrimidin-4-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is sourced from PubChem (CID 178040858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).