N-(4-propan-2-yloxypyrimidin-2-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

C24H30F3N5O — CID 178040219

IUPACN-(4-propan-2-yloxypyrimidin-2-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)CCCC2Nc1nccc(OC(C)C)n1
InChIInChI=1S/C24H30F3N5O/c1-5-8-17(14-18(9-6-2)24(25,26)27)20-15-21-19(10-7-13-32(21)31-20)29-23-28-12-11-22(30-23)33-16(3)4/h5,8-9,11-12,14-16,19H,6-7,10,13H2,1-4H3,(H,28,29,30)/b8-5-,17-14+,18-9-
InChIKeyZENDQGNYINHCAL-PBQMOSLISA-N
MW461.53 g/mol
LogP6.27
Rot. Bonds8

About N-(4-propan-2-yloxypyrimidin-2-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-(4-propan-2-yloxypyrimidin-2-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 178040219) has the molecular formula C24H30F3N5O and a molecular weight of 461.53 g/mol. Its IUPAC name is N-(4-propan-2-yloxypyrimidin-2-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-(4-propan-2-yloxypyrimidin-2-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 CID178040219
Molecular FormulaC24H30F3N5O
Molecular Weight461.53 g/mol
Exact Mass461.24
IUPAC NameN-(4-propan-2-yloxypyrimidin-2-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)CCCC2Nc1nccc(OC(C)C)n1
InChIInChI=1S/C24H30F3N5O/c1-5-8-17(14-18(9-6-2)24(25,26)27)20-15-21-19(10-7-13-32(21)31-20)29-23-28-12-11-22(30-23)33-16(3)4/h5,8-9,11-12,14-16,19H,6-7,10,13H2,1-4H3,(H,28,29,30)/b8-5-,17-14+,18-9-
InChIKeyZENDQGNYINHCAL-PBQMOSLISA-N
XLogP6.27
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-propan-2-yloxypyrimidin-2-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxypyrimidin-2-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-(4-propan-2-yloxypyrimidin-2-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 178040219) is N-(4-propan-2-yloxypyrimidin-2-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-(4-propan-2-yloxypyrimidin-2-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-(4-propan-2-yloxypyrimidin-2-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)CCCC2Nc1nccc(OC(C)C)n1.
What is the InChIKey of N-(4-propan-2-yloxypyrimidin-2-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 ZENDQGNYINHCAL-PBQMOSLISA-N. The full InChI is InChI=1S/C24H30F3N5O/c1-5-8-17(14-18(9-6-2)24(25,26)27)20-15-21-19(10-7-13-32(21)31-20)29-23-28-12-11-22(30-23)33-16(3)4/h5,8-9,11-12,14-16,19H,6-7,10,13H2,1-4H3,(H,28,29,30)/b8-5-,17-14+,18-9-.
What are the key properties of N-(4-propan-2-yloxypyrimidin-2-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-(4-propan-2-yloxypyrimidin-2-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 461.53 g/mol, XLogP of 6.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxypyrimidin-2-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 178040219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).