2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one

C25H26N8OS — CID 15037404

IUPAC2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1CCN1CCC(Nc2nc3cccnc3n2Cc2cscn2)C1
InChIInChI=1S/C25H26N8OS/c1-17-20(24(34)32-10-3-2-6-22(32)28-17)8-12-31-11-7-18(13-31)29-25-30-21-5-4-9-26-23(21)33(25)14-19-15-35-16-27-19/h2-6,9-10,15-16,18H,7-8,11-14H2,1H3,(H,29,30)
InChIKeyPAQQBBIDQYMOHX-UHFFFAOYSA-N
MW486.61 g/mol
LogP2.98
Rot. Bonds7

About 2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one

2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 15037404) has the molecular formula C25H26N8OS and a molecular weight of 486.61 g/mol. Its IUPAC name is 2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID15037404
Molecular FormulaC25H26N8OS
Molecular Weight486.61 g/mol
Exact Mass486.20
IUPAC Name2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1CCN1CCC(Nc2nc3cccnc3n2Cc2cscn2)C1
InChIInChI=1S/C25H26N8OS/c1-17-20(24(34)32-10-3-2-6-22(32)28-17)8-12-31-11-7-18(13-31)29-25-30-21-5-4-9-26-23(21)33(25)14-19-15-35-16-27-19/h2-6,9-10,15-16,18H,7-8,11-14H2,1H3,(H,29,30)
InChIKeyPAQQBBIDQYMOHX-UHFFFAOYSA-N
XLogP2.98
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one (CID 15037404) is 2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccccn2c(=O)c1CCN1CCC(Nc2nc3cccnc3n2Cc2cscn2)C1.
What is the InChIKey of 2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PAQQBBIDQYMOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8OS/c1-17-20(24(34)32-10-3-2-6-22(32)28-17)8-12-31-11-7-18(13-31)29-25-30-21-5-4-9-26-23(21)33(25)14-19-15-35-16-27-19/h2-6,9-10,15-16,18H,7-8,11-14H2,1H3,(H,29,30).
What are the key properties of 2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one?
2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 486.61 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[3-[[3-(1,3-thiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 15037404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).