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

C31H35N7O3 — CID 67259951

IUPACN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[C@@H](OC)C5)ccn34)c12
InChIInChI=1S/C31H35N7O3/c1-4-25-30-26(9-6-10-27(30)38(35-25)19-22-8-5-7-21(2)33-22)34-31(39)28-18-32-29-17-23(12-14-37(28)29)41-16-15-36-13-11-24(20-36)40-3/h5-10,12,14,17-18,24H,4,11,13,15-16,19-20H2,1-3H3,(H,34,39)/t24-/m1/s1
InChIKeyBTJQRJYJFRQSRK-XMMPIXPASA-N
MW553.67 g/mol
LogP4.35
Rot. Bonds10

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

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67259951) has the molecular formula C31H35N7O3 and a molecular weight of 553.67 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259951
Molecular FormulaC31H35N7O3
Molecular Weight553.67 g/mol
Exact Mass553.28
IUPAC NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[C@@H](OC)C5)ccn34)c12
InChIInChI=1S/C31H35N7O3/c1-4-25-30-26(9-6-10-27(30)38(35-25)19-22-8-5-7-21(2)33-22)34-31(39)28-18-32-29-17-23(12-14-37(28)29)41-16-15-36-13-11-24(20-36)40-3/h5-10,12,14,17-18,24H,4,11,13,15-16,19-20H2,1-3H3,(H,34,39)/t24-/m1/s1
InChIKeyBTJQRJYJFRQSRK-XMMPIXPASA-N
XLogP4.35
TPSA98.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.67
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]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-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 67259951) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]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-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]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-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[C@@H](OC)C5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BTJQRJYJFRQSRK-XMMPIXPASA-N. The full InChI is InChI=1S/C31H35N7O3/c1-4-25-30-26(9-6-10-27(30)38(35-25)19-22-8-5-7-21(2)33-22)34-31(39)28-18-32-29-17-23(12-14-37(28)29)41-16-15-36-13-11-24(20-36)40-3/h5-10,12,14,17-18,24H,4,11,13,15-16,19-20H2,1-3H3,(H,34,39)/t24-/m1/s1.
What are the key properties of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 553.67 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 9 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-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67259951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).