N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C33H35N7O3 — CID 53261961

IUPACN-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CC7CCC(C6)O7)ccn45)cccc32)n1
InChIInChI=1S/C33H35N7O3/c1-21-4-2-5-23(35-21)18-40-28-7-3-6-27(31(28)32(37-40)22-8-9-22)36-33(41)29-17-34-30-16-24(12-13-39(29)30)42-15-14-38-19-25-10-11-26(20-38)43-25/h2-7,12-13,16-17,22,25-26H,8-11,14-15,18-20H2,1H3,(H,36,41)
InChIKeyDVLRGNOMLVHMMA-UHFFFAOYSA-N
MW577.69 g/mol
LogP4.81
Rot. Bonds9

About N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53261961) has the molecular formula C33H35N7O3 and a molecular weight of 577.69 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53261961
Molecular FormulaC33H35N7O3
Molecular Weight577.69 g/mol
Exact Mass577.28
IUPAC NameN-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CC7CCC(C6)O7)ccn45)cccc32)n1
InChIInChI=1S/C33H35N7O3/c1-21-4-2-5-23(35-21)18-40-28-7-3-6-27(31(28)32(37-40)22-8-9-22)36-33(41)29-17-34-30-16-24(12-13-39(29)30)42-15-14-38-19-25-10-11-26(20-38)43-25/h2-7,12-13,16-17,22,25-26H,8-11,14-15,18-20H2,1H3,(H,36,41)
InChIKeyDVLRGNOMLVHMMA-UHFFFAOYSA-N
XLogP4.81
TPSA98.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.69
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-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-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 53261961) is N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CC7CCC(C6)O7)ccn45)cccc32)n1.
What is the InChIKey of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DVLRGNOMLVHMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N7O3/c1-21-4-2-5-23(35-21)18-40-28-7-3-6-27(31(28)32(37-40)22-8-9-22)36-33(41)29-17-34-30-16-24(12-13-39(29)30)42-15-14-38-19-25-10-11-26(20-38)43-25/h2-7,12-13,16-17,22,25-26H,8-11,14-15,18-20H2,1H3,(H,36,41).
What are the key properties of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 577.69 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53261961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).