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

C34H43N9O2 — CID 67261334

IUPACN-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)N1CCN(CCOc2ccn3c(C(=O)Nc4cccc5c4c(C4CC4)nn5Cc4ccn(C(C)C)n4)cnc3c2)CC1
InChIInChI=1S/C34H43N9O2/c1-23(2)40-16-14-39(15-17-40)18-19-45-27-11-12-41-30(21-35-31(41)20-27)34(44)36-28-6-5-7-29-32(28)33(25-8-9-25)38-43(29)22-26-10-13-42(37-26)24(3)4/h5-7,10-13,20-21,23-25H,8-9,14-19,22H2,1-4H3,(H,36,44)
InChIKeyZNDRBXGELSYPCL-UHFFFAOYSA-N
MW609.78 g/mol
LogP5.04
Rot. Bonds11

About N-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67261334) has the molecular formula C34H43N9O2 and a molecular weight of 609.78 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67261334
Molecular FormulaC34H43N9O2
Molecular Weight609.78 g/mol
Exact Mass609.35
IUPAC NameN-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)N1CCN(CCOc2ccn3c(C(=O)Nc4cccc5c4c(C4CC4)nn5Cc4ccn(C(C)C)n4)cnc3c2)CC1
InChIInChI=1S/C34H43N9O2/c1-23(2)40-16-14-39(15-17-40)18-19-45-27-11-12-41-30(21-35-31(41)20-27)34(44)36-28-6-5-7-29-32(28)33(25-8-9-25)38-43(29)22-26-10-13-42(37-26)24(3)4/h5-7,10-13,20-21,23-25H,8-9,14-19,22H2,1-4H3,(H,36,44)
InChIKeyZNDRBXGELSYPCL-UHFFFAOYSA-N
XLogP5.04
TPSA97.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.78
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 67261334) is N-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is CC(C)N1CCN(CCOc2ccn3c(C(=O)Nc4cccc5c4c(C4CC4)nn5Cc4ccn(C(C)C)n4)cnc3c2)CC1.
What is the InChIKey of N-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-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 ZNDRBXGELSYPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N9O2/c1-23(2)40-16-14-39(15-17-40)18-19-45-27-11-12-41-30(21-35-31(41)20-27)34(44)36-28-6-5-7-29-32(28)33(25-8-9-25)38-43(29)22-26-10-13-42(37-26)24(3)4/h5-7,10-13,20-21,23-25H,8-9,14-19,22H2,1-4H3,(H,36,44).
What are the key properties of N-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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 609.78 g/mol, XLogP of 5.04, 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-propan-2-ylpyrazol-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 67261334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).