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

C30H33N7O2 — CID 67260010

IUPACN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCCC5)ccn34)c12
InChIInChI=1S/C30H33N7O2/c1-3-24-29-25(10-7-11-26(29)37(34-24)20-22-9-6-8-21(2)32-22)33-30(38)27-19-31-28-18-23(12-15-36(27)28)39-17-16-35-13-4-5-14-35/h6-12,15,18-19H,3-5,13-14,16-17,20H2,1-2H3,(H,33,38)
InChIKeyPSQSEWPZOZBFIN-UHFFFAOYSA-N
MW523.64 g/mol
LogP4.73
Rot. Bonds9

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

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67260010) has the molecular formula C30H33N7O2 and a molecular weight of 523.64 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67260010
Molecular FormulaC30H33N7O2
Molecular Weight523.64 g/mol
Exact Mass523.27
IUPAC NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCCC5)ccn34)c12
InChIInChI=1S/C30H33N7O2/c1-3-24-29-25(10-7-11-26(29)37(34-24)20-22-9-6-8-21(2)32-22)33-30(38)27-19-31-28-18-23(12-15-36(27)28)39-17-16-35-13-4-5-14-35/h6-12,15,18-19H,3-5,13-14,16-17,20H2,1-2H3,(H,33,38)
InChIKeyPSQSEWPZOZBFIN-UHFFFAOYSA-N
XLogP4.73
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.64
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 67260010) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCCC5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PSQSEWPZOZBFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O2/c1-3-24-29-25(10-7-11-26(29)37(34-24)20-22-9-6-8-21(2)32-22)33-30(38)27-19-31-28-18-23(12-15-36(27)28)39-17-16-35-13-4-5-14-35/h6-12,15,18-19H,3-5,13-14,16-17,20H2,1-2H3,(H,33,38).
What are the key properties of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 523.64 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67260010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).