2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one

C20H20N6O — CID 59258870

IUPAC2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2C1CCCC1
InChIInChI=1S/C20H20N6O/c1-11-15-9-16(13-8-12-6-7-22-17(12)23-10-13)19(27)26(14-4-2-3-5-14)18(15)25-20(21)24-11/h6-10,14H,2-5H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyVKLCNDBSPMJIHO-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.34
Rot. Bonds2

About 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one

2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258870) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59258870
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2C1CCCC1
InChIInChI=1S/C20H20N6O/c1-11-15-9-16(13-8-12-6-7-22-17(12)23-10-13)19(27)26(14-4-2-3-5-14)18(15)25-20(21)24-11/h6-10,14H,2-5H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyVKLCNDBSPMJIHO-UHFFFAOYSA-N
XLogP3.34
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one (CID 59258870) is 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2C1CCCC1.
What is the InChIKey of 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VKLCNDBSPMJIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-11-15-9-16(13-8-12-6-7-22-17(12)23-10-13)19(27)26(14-4-2-3-5-14)18(15)25-20(21)24-11/h6-10,14H,2-5H2,1H3,(H,22,23)(H2,21,24,25).
What are the key properties of 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 360.42 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).