N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C33H41N9O2 — CID 67259888

IUPACN-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCn1ccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C(C)C)CC6)ccn45)cccc32)n1
InChIInChI=1S/C33H41N9O2/c1-4-40-12-10-25(36-40)22-42-28-7-5-6-27(31(28)32(37-42)24-8-9-24)35-33(43)29-21-34-30-20-26(11-13-41(29)30)44-19-18-38-14-16-39(17-15-38)23(2)3/h5-7,10-13,20-21,23-24H,4,8-9,14-19,22H2,1-3H3,(H,35,43)
InChIKeyDUPMOGAVEOHSPS-UHFFFAOYSA-N
MW595.75 g/mol
LogP4.48
Rot. Bonds11

About N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67259888) has the molecular formula C33H41N9O2 and a molecular weight of 595.75 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259888
Molecular FormulaC33H41N9O2
Molecular Weight595.75 g/mol
Exact Mass595.34
IUPAC NameN-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCn1ccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C(C)C)CC6)ccn45)cccc32)n1
InChIInChI=1S/C33H41N9O2/c1-4-40-12-10-25(36-40)22-42-28-7-5-6-27(31(28)32(37-42)24-8-9-24)35-33(43)29-21-34-30-20-26(11-13-41(29)30)44-19-18-38-14-16-39(17-15-38)23(2)3/h5-7,10-13,20-21,23-24H,4,8-9,14-19,22H2,1-3H3,(H,35,43)
InChIKeyDUPMOGAVEOHSPS-UHFFFAOYSA-N
XLogP4.48
TPSA97.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.75
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 67259888) is N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is CCn1ccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C(C)C)CC6)ccn45)cccc32)n1.
What is the InChIKey of N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DUPMOGAVEOHSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N9O2/c1-4-40-12-10-25(36-40)22-42-28-7-5-6-27(31(28)32(37-42)24-8-9-24)35-33(43)29-21-34-30-20-26(11-13-41(29)30)44-19-18-38-14-16-39(17-15-38)23(2)3/h5-7,10-13,20-21,23-24H,4,8-9,14-19,22H2,1-3H3,(H,35,43).
What are the key properties of N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 595.75 g/mol, XLogP of 4.48, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67259888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).