1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine

C25H30N8O — CID 167601196

IUPAC1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine
SMILESCOc1nc(-c2ccnc(Cc3ccc(N4CCC(C)(N)C4)cn3)n2)cc2c1ncn2C(C)C
InChIInChI=1S/C25H30N8O/c1-16(2)33-15-29-23-21(33)12-20(31-24(23)34-4)19-7-9-27-22(30-19)11-17-5-6-18(13-28-17)32-10-8-25(3,26)14-32/h5-7,9,12-13,15-16H,8,10-11,14,26H2,1-4H3
InChIKeyJTLAWIHKGIBYLJ-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.39
Rot. Bonds6

About 1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine

1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine (PubChem CID 167601196) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine
PubChem CID167601196
Molecular FormulaC25H30N8O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC Name1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine
SMILESCOc1nc(-c2ccnc(Cc3ccc(N4CCC(C)(N)C4)cn3)n2)cc2c1ncn2C(C)C
InChIInChI=1S/C25H30N8O/c1-16(2)33-15-29-23-21(33)12-20(31-24(23)34-4)19-7-9-27-22(30-19)11-17-5-6-18(13-28-17)32-10-8-25(3,26)14-32/h5-7,9,12-13,15-16H,8,10-11,14,26H2,1-4H3
InChIKeyJTLAWIHKGIBYLJ-UHFFFAOYSA-N
XLogP3.39
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine?
The IUPAC name of 1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine (CID 167601196) is 1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine is COc1nc(-c2ccnc(Cc3ccc(N4CCC(C)(N)C4)cn3)n2)cc2c1ncn2C(C)C.
What is the InChIKey of 1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine?
The InChIKey is JTLAWIHKGIBYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O/c1-16(2)33-15-29-23-21(33)12-20(31-24(23)34-4)19-7-9-27-22(30-19)11-17-5-6-18(13-28-17)32-10-8-25(3,26)14-32/h5-7,9,12-13,15-16H,8,10-11,14,26H2,1-4H3.
What are the key properties of 1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine?
1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine has a molecular weight of 458.57 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 167601196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).