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

C19H18N6O — CID 59258922

IUPAC2-amino-8-cyclobutyl-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)n2C1CCC1
InChIInChI=1S/C19H18N6O/c1-10-14-8-15(12-7-11-5-6-21-16(11)22-9-12)18(26)25(13-3-2-4-13)17(14)24-19(20)23-10/h5-9,13H,2-4H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyVRZZDNPADIKSTI-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.95
Rot. Bonds2

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

2-amino-8-cyclobutyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258922) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-amino-8-cyclobutyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-cyclobutyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59258922
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-amino-8-cyclobutyl-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)n2C1CCC1
InChIInChI=1S/C19H18N6O/c1-10-14-8-15(12-7-11-5-6-21-16(11)22-9-12)18(26)25(13-3-2-4-13)17(14)24-19(20)23-10/h5-9,13H,2-4H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyVRZZDNPADIKSTI-UHFFFAOYSA-N
XLogP2.95
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-cyclobutyl-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-cyclobutyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one (CID 59258922) is 2-amino-8-cyclobutyl-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-cyclobutyl-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-cyclobutyl-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)n2C1CCC1.
What is the InChIKey of 2-amino-8-cyclobutyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VRZZDNPADIKSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-10-14-8-15(12-7-11-5-6-21-16(11)22-9-12)18(26)25(13-3-2-4-13)17(14)24-19(20)23-10/h5-9,13H,2-4H2,1H3,(H,21,22)(H2,20,23,24).
What are the key properties of 2-amino-8-cyclobutyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-8-cyclobutyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 346.39 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-cyclobutyl-4-methyl-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).