N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyridine-3-carboxamide

C29H31N7O2 — CID 67259590

IUPACN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(O[C@H]5CCN(C)C5)ccn34)c12
InChIInChI=1S/C29H31N7O2/c1-4-23-28-24(9-6-10-25(28)36(33-23)17-20-8-5-7-19(2)31-20)32-29(37)26-16-30-27-15-21(12-14-35(26)27)38-22-11-13-34(3)18-22/h5-10,12,14-16,22H,4,11,13,17-18H2,1-3H3,(H,32,37)/t22-/m0/s1
InChIKeyIOENGKMAHFCZTK-QFIPXVFZSA-N
MW509.61 g/mol
LogP4.33
Rot. Bonds7

About N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyridine-3-carboxamide

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67259590) has the molecular formula C29H31N7O2 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259590
Molecular FormulaC29H31N7O2
Molecular Weight509.61 g/mol
Exact Mass509.25
IUPAC NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(O[C@H]5CCN(C)C5)ccn34)c12
InChIInChI=1S/C29H31N7O2/c1-4-23-28-24(9-6-10-25(28)36(33-23)17-20-8-5-7-19(2)31-20)32-29(37)26-16-30-27-15-21(12-14-35(26)27)38-22-11-13-34(3)18-22/h5-10,12,14-16,22H,4,11,13,17-18H2,1-3H3,(H,32,37)/t22-/m0/s1
InChIKeyIOENGKMAHFCZTK-QFIPXVFZSA-N
XLogP4.33
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 54.33
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-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyridine-3-carboxamide (CID 67259590) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[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-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(O[C@H]5CCN(C)C5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is IOENGKMAHFCZTK-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H31N7O2/c1-4-23-28-24(9-6-10-25(28)36(33-23)17-20-8-5-7-19(2)31-20)32-29(37)26-16-30-27-15-21(12-14-35(26)27)38-22-11-13-34(3)18-22/h5-10,12,14-16,22H,4,11,13,17-18H2,1-3H3,(H,32,37)/t22-/m0/s1.
What are the key properties of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 4.33, 7 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-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67259590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).