2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine

C18H18N6 — CID 175332075

IUPAC2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCC(Cc1nc(N)c2ccncc2n1)c1cn(C)c2ncccc12
InChIInChI=1S/C18H18N6/c1-11(14-10-24(2)18-12(14)4-3-6-21-18)8-16-22-15-9-20-7-5-13(15)17(19)23-16/h3-7,9-11H,8H2,1-2H3,(H2,19,22,23)
InChIKeyNLLLKJCSOIWJDQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.84
Rot. Bonds3

About 2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine

2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 175332075) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID175332075
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCC(Cc1nc(N)c2ccncc2n1)c1cn(C)c2ncccc12
InChIInChI=1S/C18H18N6/c1-11(14-10-24(2)18-12(14)4-3-6-21-18)8-16-22-15-9-20-7-5-13(15)17(19)23-16/h3-7,9-11H,8H2,1-2H3,(H2,19,22,23)
InChIKeyNLLLKJCSOIWJDQ-UHFFFAOYSA-N
XLogP2.84
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine (CID 175332075) is 2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine is CC(Cc1nc(N)c2ccncc2n1)c1cn(C)c2ncccc12.
What is the InChIKey of 2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is NLLLKJCSOIWJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-11(14-10-24(2)18-12(14)4-3-6-21-18)8-16-22-15-9-20-7-5-13(15)17(19)23-16/h3-7,9-11H,8H2,1-2H3,(H2,19,22,23).
What are the key properties of 2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine?
2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 318.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propyl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 175332075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).