N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-pyrrolidin-1-ylpyridine-2-carboxamide

C24H28N6O4 — CID 118172919

IUPACN-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(N2CCCC2)n1
InChIInChI=1S/C24H28N6O4/c1-33-21-14-19-17(15-30(27-19)16-23(31)29-9-11-34-12-10-29)13-20(21)26-24(32)18-5-4-6-22(25-18)28-7-2-3-8-28/h4-6,13-15H,2-3,7-12,16H2,1H3,(H,26,32)
InChIKeyMFKQLZNOYJRRJQ-UHFFFAOYSA-N
MW464.53 g/mol
LogP2.15
Rot. Bonds6

About N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-pyrrolidin-1-ylpyridine-2-carboxamide

N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 118172919) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID118172919
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC NameN-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(N2CCCC2)n1
InChIInChI=1S/C24H28N6O4/c1-33-21-14-19-17(15-30(27-19)16-23(31)29-9-11-34-12-10-29)13-20(21)26-24(32)18-5-4-6-22(25-18)28-7-2-3-8-28/h4-6,13-15H,2-3,7-12,16H2,1H3,(H,26,32)
InChIKeyMFKQLZNOYJRRJQ-UHFFFAOYSA-N
XLogP2.15
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-pyrrolidin-1-ylpyridine-2-carboxamide (CID 118172919) is N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-pyrrolidin-1-ylpyridine-2-carboxamide is COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(N2CCCC2)n1.
What is the InChIKey of N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is MFKQLZNOYJRRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-33-21-14-19-17(15-30(27-19)16-23(31)29-9-11-34-12-10-29)13-20(21)26-24(32)18-5-4-6-22(25-18)28-7-2-3-8-28/h4-6,13-15H,2-3,7-12,16H2,1H3,(H,26,32).
What are the key properties of N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-pyrrolidin-1-ylpyridine-2-carboxamide?
N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 118172919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).