N-[3-cyclopropyl-1-[(1-methyl-2-oxo-3-pyridinyl)methyl]indazol-4-yl]-7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide

C31H33N7O4 — CID 67260389

IUPACN-[3-cyclopropyl-1-[(1-methyl-2-oxo-3-pyridinyl)methyl]indazol-4-yl]-7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCOCC6)ccn45)cccc32)c1=O
InChIInChI=1S/C31H33N7O4/c1-35-10-3-4-22(31(35)40)20-38-25-6-2-5-24(28(25)29(34-38)21-7-8-21)33-30(39)26-19-32-27-18-23(9-11-37(26)27)42-17-14-36-12-15-41-16-13-36/h2-6,9-11,18-19,21H,7-8,12-17,20H2,1H3,(H,33,39)
InChIKeyHTSMKADASCFLOB-UHFFFAOYSA-N
MW567.65 g/mol
LogP3.27
Rot. Bonds9

About N-[3-cyclopropyl-1-[(1-methyl-2-oxo-3-pyridinyl)methyl]indazol-4-yl]-7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide

N-[3-cyclopropyl-1-[(1-methyl-2-oxo-3-pyridinyl)methyl]indazol-4-yl]-7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67260389) has the molecular formula C31H33N7O4 and a molecular weight of 567.65 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(1-methyl-2-oxo-3-pyridinyl)methyl]indazol-4-yl]-7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[(1-methyl-2-oxo-3-pyridinyl)methyl]indazol-4-yl]-7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67260389
Molecular FormulaC31H33N7O4
Molecular Weight567.65 g/mol
Exact Mass567.26
IUPAC NameN-[3-cyclopropyl-1-[(1-methyl-2-oxo-3-pyridinyl)methyl]indazol-4-yl]-7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCOCC6)ccn45)cccc32)c1=O
InChIInChI=1S/C31H33N7O4/c1-35-10-3-4-22(31(35)40)20-38-25-6-2-5-24(28(25)29(34-38)21-7-8-21)33-30(39)26-19-32-27-18-23(9-11-37(26)27)42-17-14-36-12-15-41-16-13-36/h2-6,9-11,18-19,21H,7-8,12-17,20H2,1H3,(H,33,39)
InChIKeyHTSMKADASCFLOB-UHFFFAOYSA-N
XLogP3.27
TPSA107.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.65
LogP ≤ 53.27
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-methyl-2-oxo-3-pyridinyl)methyl]indazol-4-yl]-7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyclopropyl-1-[(1-methyl-2-oxo-3-pyridinyl)methyl]indazol-4-yl]-7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 67260389) is N-[3-cyclopropyl-1-[(1-methyl-2-oxo-3-pyridinyl)methyl]indazol-4-yl]-7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-1-[(1-methyl-2-oxo-3-pyridinyl)methyl]indazol-4-yl]-7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-1-[(1-methyl-2-oxo-3-pyridinyl)methyl]indazol-4-yl]-7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide is Cn1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCOCC6)ccn45)cccc32)c1=O.
What is the InChIKey of N-[3-cyclopropyl-1-[(1-methyl-2-oxo-3-pyridinyl)methyl]indazol-4-yl]-7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HTSMKADASCFLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7O4/c1-35-10-3-4-22(31(35)40)20-38-25-6-2-5-24(28(25)29(34-38)21-7-8-21)33-30(39)26-19-32-27-18-23(9-11-37(26)27)42-17-14-36-12-15-41-16-13-36/h2-6,9-11,18-19,21H,7-8,12-17,20H2,1H3,(H,33,39).
What are the key properties of N-[3-cyclopropyl-1-[(1-methyl-2-oxo-3-pyridinyl)methyl]indazol-4-yl]-7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-cyclopropyl-1-[(1-methyl-2-oxo-3-pyridinyl)methyl]indazol-4-yl]-7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 567.65 g/mol, XLogP of 3.27, 9 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-methyl-2-oxo-3-pyridinyl)methyl]indazol-4-yl]-7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67260389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).