N-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide

C21H23N5O2 — CID 118226623

IUPACN-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide
SMILESCn1ncc2cc(NC(=O)c3cccc(N4CCC(O)C4)n3)c(C3CC3)cc21
InChIInChI=1S/C21H23N5O2/c1-25-19-10-16(13-5-6-13)18(9-14(19)11-22-25)24-21(28)17-3-2-4-20(23-17)26-8-7-15(27)12-26/h2-4,9-11,13,15,27H,5-8,12H2,1H3,(H,24,28)
InChIKeyMGYVFIMPMLFIJR-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.67
Rot. Bonds4

About N-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide

N-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide (PubChem CID 118226623) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide
PubChem CID118226623
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide
SMILESCn1ncc2cc(NC(=O)c3cccc(N4CCC(O)C4)n3)c(C3CC3)cc21
InChIInChI=1S/C21H23N5O2/c1-25-19-10-16(13-5-6-13)18(9-14(19)11-22-25)24-21(28)17-3-2-4-20(23-17)26-8-7-15(27)12-26/h2-4,9-11,13,15,27H,5-8,12H2,1H3,(H,24,28)
InChIKeyMGYVFIMPMLFIJR-UHFFFAOYSA-N
XLogP2.67
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide (CID 118226623) is N-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide is Cn1ncc2cc(NC(=O)c3cccc(N4CCC(O)C4)n3)c(C3CC3)cc21.
What is the InChIKey of N-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide?
The InChIKey is MGYVFIMPMLFIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-19-10-16(13-5-6-13)18(9-14(19)11-22-25)24-21(28)17-3-2-4-20(23-17)26-8-7-15(27)12-26/h2-4,9-11,13,15,27H,5-8,12H2,1H3,(H,24,28).
What are the key properties of N-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide?
N-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopropyl-1-methylindazol-5-yl)-6-(3-hydroxypyrrolidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118226623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).