6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one

C22H18N6O — CID 70934472

IUPAC6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Cc2ccccc2)cc2cnc(Nc3cnc4[nH]ccc4c3)nc21
InChIInChI=1S/C22H18N6O/c1-28-20-17(10-16(21(28)29)9-14-5-3-2-4-6-14)12-25-22(27-20)26-18-11-15-7-8-23-19(15)24-13-18/h2-8,10-13H,9H2,1H3,(H,23,24)(H,25,26,27)
InChIKeySVJCLJOYWWFNFH-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.54
Rot. Bonds4

About 6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70934472) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID70934472
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Cc2ccccc2)cc2cnc(Nc3cnc4[nH]ccc4c3)nc21
InChIInChI=1S/C22H18N6O/c1-28-20-17(10-16(21(28)29)9-14-5-3-2-4-6-14)12-25-22(27-20)26-18-11-15-7-8-23-19(15)24-13-18/h2-8,10-13H,9H2,1H3,(H,23,24)(H,25,26,27)
InChIKeySVJCLJOYWWFNFH-UHFFFAOYSA-N
XLogP3.54
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 70934472) is 6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Cc2ccccc2)cc2cnc(Nc3cnc4[nH]ccc4c3)nc21.
What is the InChIKey of 6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SVJCLJOYWWFNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-28-20-17(10-16(21(28)29)9-14-5-3-2-4-6-14)12-25-22(27-20)26-18-11-15-7-8-23-19(15)24-13-18/h2-8,10-13H,9H2,1H3,(H,23,24)(H,25,26,27).
What are the key properties of 6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 382.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70934472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).