5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine

C29H32FN7 — CID 123164551

IUPAC5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(C)CNCCC1Nc1nc(Cc2ccnc(Nc3ccc(F)cc3)c2)nc2cncc(C3CC3)c12
InChIInChI=1S/C29H32FN7/c1-29(2)17-31-11-10-24(29)36-28-27-22(19-3-4-19)15-32-16-23(27)35-26(37-28)14-18-9-12-33-25(13-18)34-21-7-5-20(30)6-8-21/h5-9,12-13,15-16,19,24,31H,3-4,10-11,14,17H2,1-2H3,(H,33,34)(H,35,36,37)
InChIKeyBKOFZJCTNWRTEA-UHFFFAOYSA-N
MW497.62 g/mol
LogP5.57
Rot. Bonds7

About 5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine

5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 123164551) has the molecular formula C29H32FN7 and a molecular weight of 497.62 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID123164551
Molecular FormulaC29H32FN7
Molecular Weight497.62 g/mol
Exact Mass497.27
IUPAC Name5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(C)CNCCC1Nc1nc(Cc2ccnc(Nc3ccc(F)cc3)c2)nc2cncc(C3CC3)c12
InChIInChI=1S/C29H32FN7/c1-29(2)17-31-11-10-24(29)36-28-27-22(19-3-4-19)15-32-16-23(27)35-26(37-28)14-18-9-12-33-25(13-18)34-21-7-5-20(30)6-8-21/h5-9,12-13,15-16,19,24,31H,3-4,10-11,14,17H2,1-2H3,(H,33,34)(H,35,36,37)
InChIKeyBKOFZJCTNWRTEA-UHFFFAOYSA-N
XLogP5.57
TPSA87.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-cyclobutyl-2-[2-[(4,6-difluoro-2-pyridinyl)amino]-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 118388704
5-cyclobutyl-2-[2-[(3,5-difluoro-2-pyridinyl)amino]-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 118388304
N-[4-[5-cyclopropyl-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-1,3-benzoxazol-2-amine
CID 155394455
4-[4-[amino-(3,3-dimethylpiperidin-4-yl)methyl]-5-cyclopropylpyrido[3,4-d]pyrimidin-2-yl]-N-(4-fluorophenyl)pyridin-2-amine
CID 155249930
5-cyclopropyl-2-[2-(7,8-dihydro-4aH-pyrido[1,2-b]pyridazin-6-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 144884945
5-cyclobutyl-2-[2-(cyclohexa-1,3-dien-1-ylamino)-4-pyridinyl]-N-(3,3-dimethylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 144934749
6-[[4-[5-cyclobutyl-4-[[(4S)-3,3-dimethylpiperidin-4-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile
CID 118388315
4-tert-butyl-N-[4-[5-cyclobutyl-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 118388761
5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[2-[2-(5-ethynylpyrazol-1-yl)ethenylamino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 123297495
5-cyclobutyl-N-[(4S)-3,3-dimethylpiperidin-4-yl]-2-[2-[(1-phenyl-1,2,4-triazol-3-yl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 118388479
4-[5-cyclopropyl-4-(3,3-dimethylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-N-(4-fluorophenyl)pyridin-2-amine
CID 90099129
2-[2-(4-chloroanilino)-4-pyridinyl]-5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-N-methylpyrido[3,4-d]pyrimidin-4-amine
CID 118224977

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine (CID 123164551) is 5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine is CC1(C)CNCCC1Nc1nc(Cc2ccnc(Nc3ccc(F)cc3)c2)nc2cncc(C3CC3)c12.
What is the InChIKey of 5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is BKOFZJCTNWRTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN7/c1-29(2)17-31-11-10-24(29)36-28-27-22(19-3-4-19)15-32-16-23(27)35-26(37-28)14-18-9-12-33-25(13-18)34-21-7-5-20(30)6-8-21/h5-9,12-13,15-16,19,24,31H,3-4,10-11,14,17H2,1-2H3,(H,33,34)(H,35,36,37).
What are the key properties of 5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine?
5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 497.62 g/mol, XLogP of 5.57, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-2-[[2-(4-fluoroanilino)-4-pyridinyl]methyl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 123164551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).