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

C29H30N6O4 — CID 67261500

IUPACN-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(2-hydroxyethoxy)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCOCCO)ccn45)cccc32)n1
InChIInChI=1S/C29H30N6O4/c1-19-4-2-5-21(31-19)18-35-24-7-3-6-23(27(24)28(33-35)20-8-9-20)32-29(37)25-17-30-26-16-22(10-11-34(25)26)39-15-14-38-13-12-36/h2-7,10-11,16-17,20,36H,8-9,12-15,18H2,1H3,(H,32,37)
InChIKeyBHFTXSHRWAYEKY-UHFFFAOYSA-N
MW526.60 g/mol
LogP3.95
Rot. Bonds11

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

N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(2-hydroxyethoxy)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67261500) has the molecular formula C29H30N6O4 and a molecular weight of 526.60 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(2-hydroxyethoxy)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-(2-hydroxyethoxy)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67261500
Molecular FormulaC29H30N6O4
Molecular Weight526.60 g/mol
Exact Mass526.23
IUPAC NameN-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(2-hydroxyethoxy)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCOCCO)ccn45)cccc32)n1
InChIInChI=1S/C29H30N6O4/c1-19-4-2-5-21(31-19)18-35-24-7-3-6-23(27(24)28(33-35)20-8-9-20)32-29(37)25-17-30-26-16-22(10-11-34(25)26)39-15-14-38-13-12-36/h2-7,10-11,16-17,20,36H,8-9,12-15,18H2,1H3,(H,32,37)
InChIKeyBHFTXSHRWAYEKY-UHFFFAOYSA-N
XLogP3.95
TPSA115.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.60
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(2-hydroxyethoxy)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-(2-hydroxyethoxy)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 67261500) is N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(2-hydroxyethoxy)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-(2-hydroxyethoxy)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-(2-hydroxyethoxy)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCOCCO)ccn45)cccc32)n1.
What is the InChIKey of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(2-hydroxyethoxy)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BHFTXSHRWAYEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O4/c1-19-4-2-5-21(31-19)18-35-24-7-3-6-23(27(24)28(33-35)20-8-9-20)32-29(37)25-17-30-26-16-22(10-11-34(25)26)39-15-14-38-13-12-36/h2-7,10-11,16-17,20,36H,8-9,12-15,18H2,1H3,(H,32,37).
What are the key properties of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(2-hydroxyethoxy)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(2-hydroxyethoxy)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 526.60 g/mol, XLogP of 3.95, 11 rotatable bonds, 2 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-(2-hydroxyethoxy)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67261500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).