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

C27H27N7O — CID 57386646

IUPACN-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(N6CCCC6)ccn45)cccc32)n1
InChIInChI=1S/C27H27N7O/c1-18-7-5-8-20(29-18)17-34-23-10-6-9-22(26(23)19(2)31-34)30-27(35)24-16-28-25-15-21(11-14-33(24)25)32-12-3-4-13-32/h5-11,14-16H,3-4,12-13,17H2,1-2H3,(H,30,35)
InChIKeyBAYIDJLEPQZIMD-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.60
Rot. Bonds5

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

N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 57386646) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID57386646
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC NameN-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(N6CCCC6)ccn45)cccc32)n1
InChIInChI=1S/C27H27N7O/c1-18-7-5-8-20(29-18)17-34-23-10-6-9-22(26(23)19(2)31-34)30-27(35)24-16-28-25-15-21(11-14-33(24)25)32-12-3-4-13-32/h5-11,14-16H,3-4,12-13,17H2,1-2H3,(H,30,35)
InChIKeyBAYIDJLEPQZIMD-UHFFFAOYSA-N
XLogP4.60
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 57386646) is N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(N6CCCC6)ccn45)cccc32)n1.
What is the InChIKey of N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BAYIDJLEPQZIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O/c1-18-7-5-8-20(29-18)17-34-23-10-6-9-22(26(23)19(2)31-34)30-27(35)24-16-28-25-15-21(11-14-33(24)25)32-12-3-4-13-32/h5-11,14-16H,3-4,12-13,17H2,1-2H3,(H,30,35).
What are the key properties of N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide?
N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 57386646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).