2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide

C22H23N7OS — CID 118240542

IUPAC2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1nc2c(C(N)=O)cccn2c1-c1nc2c(c(NCc3cccs3)n1)CCN(C)C2
InChIInChI=1S/C22H23N7OS/c1-13-18(29-8-3-6-16(19(23)30)22(29)25-13)21-26-17-12-28(2)9-7-15(17)20(27-21)24-11-14-5-4-10-31-14/h3-6,8,10H,7,9,11-12H2,1-2H3,(H2,23,30)(H,24,26,27)
InChIKeyAHGHSEGGIWAPPJ-UHFFFAOYSA-N
MW433.54 g/mol
LogP2.86
Rot. Bonds5

About 2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide

2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 118240542) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID118240542
Molecular FormulaC22H23N7OS
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC Name2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1nc2c(C(N)=O)cccn2c1-c1nc2c(c(NCc3cccs3)n1)CCN(C)C2
InChIInChI=1S/C22H23N7OS/c1-13-18(29-8-3-6-16(19(23)30)22(29)25-13)21-26-17-12-28(2)9-7-15(17)20(27-21)24-11-14-5-4-10-31-14/h3-6,8,10H,7,9,11-12H2,1-2H3,(H2,23,30)(H,24,26,27)
InChIKeyAHGHSEGGIWAPPJ-UHFFFAOYSA-N
XLogP2.86
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide (CID 118240542) is 2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide is Cc1nc2c(C(N)=O)cccn2c1-c1nc2c(c(NCc3cccs3)n1)CCN(C)C2.
What is the InChIKey of 2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is AHGHSEGGIWAPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-13-18(29-8-3-6-16(19(23)30)22(29)25-13)21-26-17-12-28(2)9-7-15(17)20(27-21)24-11-14-5-4-10-31-14/h3-6,8,10H,7,9,11-12H2,1-2H3,(H2,23,30)(H,24,26,27).
What are the key properties of 2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide?
2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[7-methyl-4-(thiophen-2-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 118240542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).