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

C27H27N7O2 — CID 67260305

IUPACN-[3-ethyl-1-[(6-pyrrolidin-3-yloxy-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(OC3CCNC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C27H27N7O2/c1-2-20-26-21(31-27(35)23-16-29-24-10-3-4-14-33(23)24)8-6-9-22(26)34(32-20)17-18-7-5-11-25(30-18)36-19-12-13-28-15-19/h3-11,14,16,19,28H,2,12-13,15,17H2,1H3,(H,31,35)
InChIKeyWHNAGZDKIGOAKE-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.68
Rot. Bonds7

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

N-[3-ethyl-1-[(6-pyrrolidin-3-yloxy-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67260305) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-pyrrolidin-3-yloxy-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(6-pyrrolidin-3-yloxy-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67260305
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC NameN-[3-ethyl-1-[(6-pyrrolidin-3-yloxy-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(OC3CCNC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C27H27N7O2/c1-2-20-26-21(31-27(35)23-16-29-24-10-3-4-14-33(23)24)8-6-9-22(26)34(32-20)17-18-7-5-11-25(30-18)36-19-12-13-28-15-19/h3-11,14,16,19,28H,2,12-13,15,17H2,1H3,(H,31,35)
InChIKeyWHNAGZDKIGOAKE-UHFFFAOYSA-N
XLogP3.68
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-[(6-pyrrolidin-3-yloxy-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(6-pyrrolidin-3-yloxy-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67260305) is N-[3-ethyl-1-[(6-pyrrolidin-3-yloxy-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-ethyl-1-[(6-pyrrolidin-3-yloxy-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(6-pyrrolidin-3-yloxy-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(OC3CCNC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(6-pyrrolidin-3-yloxy-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WHNAGZDKIGOAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-2-20-26-21(31-27(35)23-16-29-24-10-3-4-14-33(23)24)8-6-9-22(26)34(32-20)17-18-7-5-11-25(30-18)36-19-12-13-28-15-19/h3-11,14,16,19,28H,2,12-13,15,17H2,1H3,(H,31,35).
What are the key properties of N-[3-ethyl-1-[(6-pyrrolidin-3-yloxy-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(6-pyrrolidin-3-yloxy-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-[(6-pyrrolidin-3-yloxy-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67260305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).