2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C19H23N7O — CID 5330259

IUPAC2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc21
InChIInChI=1S/C19H23N7O/c1-13(2)26-17(27)6-3-14-11-22-19(24-18(14)26)23-16-5-4-15(12-21-16)25-9-7-20-8-10-25/h3-6,11-13,20H,7-10H2,1-2H3,(H,21,22,23,24)
InChIKeyQHXAANLQXKLJSI-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.92
Rot. Bonds4

About 2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330259) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330259
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc21
InChIInChI=1S/C19H23N7O/c1-13(2)26-17(27)6-3-14-11-22-19(24-18(14)26)23-16-5-4-15(12-21-16)25-9-7-20-8-10-25/h3-6,11-13,20H,7-10H2,1-2H3,(H,21,22,23,24)
InChIKeyQHXAANLQXKLJSI-UHFFFAOYSA-N
XLogP1.92
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one with MolForge

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

Launch Full Analysis

Related Compounds

Palbociclib
CID 5330286
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
Narazaciclib
CID 56649281
Dalpiciclib
CID 86279927
Palbociclib hydrochloride
CID 11431660
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-Ethyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330199
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225
2-(phenylamino)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330226
8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330227

Frequently Asked Questions

What is the IUPAC name of 2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 5330259) is 2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc21.
What is the InChIKey of 2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QHXAANLQXKLJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-13(2)26-17(27)6-3-14-11-22-19(24-18(14)26)23-16-5-4-15(12-21-16)25-9-7-20-8-10-25/h3-6,11-13,20H,7-10H2,1-2H3,(H,21,22,23,24).
What are the key properties of 2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 365.44 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-piperazin-1-yl-2-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).