N-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide

C22H22N4O — CID 90382071

IUPACN-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESO=C(c1ccc(-c2ccccn2)cc1)N(C1CC1)C1CCc2[nH]ncc2C1
InChIInChI=1S/C22H22N4O/c27-22(16-6-4-15(5-7-16)20-3-1-2-12-23-20)26(18-8-9-18)19-10-11-21-17(13-19)14-24-25-21/h1-7,12,14,18-19H,8-11,13H2,(H,24,25)
InChIKeyLPUHTSRXHVTCGR-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.63
Rot. Bonds4

About N-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide

N-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (PubChem CID 90382071) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is N-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
PubChem CID90382071
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC NameN-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESO=C(c1ccc(-c2ccccn2)cc1)N(C1CC1)C1CCc2[nH]ncc2C1
InChIInChI=1S/C22H22N4O/c27-22(16-6-4-15(5-7-16)20-3-1-2-12-23-20)26(18-8-9-18)19-10-11-21-17(13-19)14-24-25-21/h1-7,12,14,18-19H,8-11,13H2,(H,24,25)
InChIKeyLPUHTSRXHVTCGR-UHFFFAOYSA-N
XLogP3.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (CID 90382071) is N-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is O=C(c1ccc(-c2ccccn2)cc1)N(C1CC1)C1CCc2[nH]ncc2C1.
What is the InChIKey of N-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The InChIKey is LPUHTSRXHVTCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-22(16-6-4-15(5-7-16)20-3-1-2-12-23-20)26(18-8-9-18)19-10-11-21-17(13-19)14-24-25-21/h1-7,12,14,18-19H,8-11,13H2,(H,24,25).
What are the key properties of N-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
N-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide has a molecular weight of 358.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is sourced from PubChem (CID 90382071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).