8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine

C27H34N6 — CID 155036428

IUPAC8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine
SMILESC=C(C)C1=C(C)c2cnc(Nc3ccc(C4CCNCC4)cn3)nc2N(C2CCCC2)C1=C
InChIInChI=1S/C27H34N6/c1-17(2)25-18(3)23-16-30-27(32-26(23)33(19(25)4)22-7-5-6-8-22)31-24-10-9-21(15-29-24)20-11-13-28-14-12-20/h9-10,15-16,20,22,28H,1,4-8,11-14H2,2-3H3,(H,29,30,31,32)
InChIKeyHQZGQDMVUXHQSX-UHFFFAOYSA-N
MW442.61 g/mol
LogP5.71
Rot. Bonds5

About 8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine

8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine (PubChem CID 155036428) has the molecular formula C27H34N6 and a molecular weight of 442.61 g/mol. Its IUPAC name is 8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine
PubChem CID155036428
Molecular FormulaC27H34N6
Molecular Weight442.61 g/mol
Exact Mass442.28
IUPAC Name8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine
SMILESC=C(C)C1=C(C)c2cnc(Nc3ccc(C4CCNCC4)cn3)nc2N(C2CCCC2)C1=C
InChIInChI=1S/C27H34N6/c1-17(2)25-18(3)23-16-30-27(32-26(23)33(19(25)4)22-7-5-6-8-22)31-24-10-9-21(15-29-24)20-11-13-28-14-12-20/h9-10,15-16,20,22,28H,1,4-8,11-14H2,2-3H3,(H,29,30,31,32)
InChIKeyHQZGQDMVUXHQSX-UHFFFAOYSA-N
XLogP5.71
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-acetyl-8-cyclohexyl-5-methyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 166879305
7-cyclopentyl-6-methylsulfinyl-N-(5-piperidin-4-yl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 137445687
1-[8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]-7H-pyrido[2,3-d]pyrimidin-6-yl]ethanone
CID 130378536
N-(5-piperidin-4-yl-2-pyridinyl)-1-propan-2-yltriazolo[4,5-h]quinazolin-8-amine;hydrochloride
CID 167640890
N,N-dimethyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 175524245
5-cyclohexyl-N-(3-fluorocyclobutyl)-8-methyl-6-methylidenepyrimido[4,5-c]isoquinolin-3-amine
CID 145439502
5-cyclohexyl-N-(3,3-difluorocyclobutyl)-8-methyl-6-methylidenepyrimido[4,5-c]isoquinolin-3-amine
CID 145439515
4,6-dimethyl-N-(5-piperidin-2-yl-2-pyridinyl)pyrimidin-2-amine
CID 110266713
7-cyclopentyl-5,5-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidin-6-one
CID 58015854
6-acetyl-8-cyclopentyl-2-[[5-[1-[1-(2-hydroxyethyl)piperidin-4-yl]piperidin-4-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 118699815
8-cyclopentyl-N-methoxy-5-oxo-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 24936989
acetic acid;6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 175123063

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine (CID 155036428) is 8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine is C=C(C)C1=C(C)c2cnc(Nc3ccc(C4CCNCC4)cn3)nc2N(C2CCCC2)C1=C.
What is the InChIKey of 8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is HQZGQDMVUXHQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6/c1-17(2)25-18(3)23-16-30-27(32-26(23)33(19(25)4)22-7-5-6-8-22)31-24-10-9-21(15-29-24)20-11-13-28-14-12-20/h9-10,15-16,20,22,28H,1,4-8,11-14H2,2-3H3,(H,29,30,31,32).
What are the key properties of 8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine?
8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 442.61 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-methyl-7-methylidene-N-(5-piperidin-4-yl-2-pyridinyl)-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 155036428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).