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

C21H21N5O — CID 90381970

IUPACN-cyclopropyl-4-pyrimidin-5-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESO=C(c1ccc(-c2cncnc2)cc1)N(C1CC1)C1CCc2[nH]ncc2C1
InChIInChI=1S/C21H21N5O/c27-21(15-3-1-14(2-4-15)17-10-22-13-23-11-17)26(18-5-6-18)19-7-8-20-16(9-19)12-24-25-20/h1-4,10-13,18-19H,5-9H2,(H,24,25)
InChIKeyJPAXDUCBROTMTH-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.03
Rot. Bonds4

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

N-cyclopropyl-4-pyrimidin-5-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (PubChem CID 90381970) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-cyclopropyl-4-pyrimidin-5-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-pyrimidin-5-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
PubChem CID90381970
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-cyclopropyl-4-pyrimidin-5-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESO=C(c1ccc(-c2cncnc2)cc1)N(C1CC1)C1CCc2[nH]ncc2C1
InChIInChI=1S/C21H21N5O/c27-21(15-3-1-14(2-4-15)17-10-22-13-23-11-17)26(18-5-6-18)19-7-8-20-16(9-19)12-24-25-20/h1-4,10-13,18-19H,5-9H2,(H,24,25)
InChIKeyJPAXDUCBROTMTH-UHFFFAOYSA-N
XLogP3.03
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-pyrimidin-5-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-pyrimidin-5-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (CID 90381970) is N-cyclopropyl-4-pyrimidin-5-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-pyrimidin-5-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-pyrimidin-5-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is O=C(c1ccc(-c2cncnc2)cc1)N(C1CC1)C1CCc2[nH]ncc2C1.
What is the InChIKey of N-cyclopropyl-4-pyrimidin-5-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The InChIKey is JPAXDUCBROTMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c27-21(15-3-1-14(2-4-15)17-10-22-13-23-11-17)26(18-5-6-18)19-7-8-20-16(9-19)12-24-25-20/h1-4,10-13,18-19H,5-9H2,(H,24,25).
What are the key properties of N-cyclopropyl-4-pyrimidin-5-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
N-cyclopropyl-4-pyrimidin-5-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide has a molecular weight of 359.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-pyrimidin-5-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is sourced from PubChem (CID 90381970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).