N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-methylsulfanylimidazo[1,2-a]pyridine-3-carboxamide

C26H24N6OS — CID 67260931

IUPACN-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-methylsulfanylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCSc1ccn2c(C(=O)Nc3cccc4c3c(C3CC3)nn4Cc3cccc(C)n3)cnc2c1
InChIInChI=1S/C26H24N6OS/c1-16-5-3-6-18(28-16)15-32-21-8-4-7-20(24(21)25(30-32)17-9-10-17)29-26(33)22-14-27-23-13-19(34-2)11-12-31(22)23/h3-8,11-14,17H,9-10,15H2,1-2H3,(H,29,33)
InChIKeyFTZFXXAIYXWZLT-UHFFFAOYSA-N
MW468.59 g/mol
LogP5.29
Rot. Bonds6

About N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-methylsulfanylimidazo[1,2-a]pyridine-3-carboxamide

N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-methylsulfanylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67260931) has the molecular formula C26H24N6OS and a molecular weight of 468.59 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-methylsulfanylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-methylsulfanylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67260931
Molecular FormulaC26H24N6OS
Molecular Weight468.59 g/mol
Exact Mass468.17
IUPAC NameN-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-methylsulfanylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCSc1ccn2c(C(=O)Nc3cccc4c3c(C3CC3)nn4Cc3cccc(C)n3)cnc2c1
InChIInChI=1S/C26H24N6OS/c1-16-5-3-6-18(28-16)15-32-21-8-4-7-20(24(21)25(30-32)17-9-10-17)29-26(33)22-14-27-23-13-19(34-2)11-12-31(22)23/h3-8,11-14,17H,9-10,15H2,1-2H3,(H,29,33)
InChIKeyFTZFXXAIYXWZLT-UHFFFAOYSA-N
XLogP5.29
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-methylsulfanylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-methylsulfanylimidazo[1,2-a]pyridine-3-carboxamide (CID 67260931) is N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-methylsulfanylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-methylsulfanylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-methylsulfanylimidazo[1,2-a]pyridine-3-carboxamide is CSc1ccn2c(C(=O)Nc3cccc4c3c(C3CC3)nn4Cc3cccc(C)n3)cnc2c1.
What is the InChIKey of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-methylsulfanylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FTZFXXAIYXWZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6OS/c1-16-5-3-6-18(28-16)15-32-21-8-4-7-20(24(21)25(30-32)17-9-10-17)29-26(33)22-14-27-23-13-19(34-2)11-12-31(22)23/h3-8,11-14,17H,9-10,15H2,1-2H3,(H,29,33).
What are the key properties of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-methylsulfanylimidazo[1,2-a]pyridine-3-carboxamide?
N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-methylsulfanylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 468.59 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-methylsulfanylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67260931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).