N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

C21H21N5O2 — CID 11749186

IUPACN-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(CCc2ccccc2)NC(=O)N1
InChIInChI=1S/C21H21N5O2/c1-13-19(20(27)24-16-8-10-17-15(11-16)12-22-26-17)18(25-21(28)23-13)9-7-14-5-3-2-4-6-14/h2-6,8,10-12,18H,7,9H2,1H3,(H,22,26)(H,24,27)(H2,23,25,28)
InChIKeyLTNRGLIZJQNNBT-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.09
Rot. Bonds5

About N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 11749186) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID11749186
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(CCc2ccccc2)NC(=O)N1
InChIInChI=1S/C21H21N5O2/c1-13-19(20(27)24-16-8-10-17-15(11-16)12-22-26-17)18(25-21(28)23-13)9-7-14-5-3-2-4-6-14/h2-6,8,10-12,18H,7,9H2,1H3,(H,22,26)(H,24,27)(H2,23,25,28)
InChIKeyLTNRGLIZJQNNBT-UHFFFAOYSA-N
XLogP3.09
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 11749186) is N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(CCc2ccccc2)NC(=O)N1.
What is the InChIKey of N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is LTNRGLIZJQNNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-19(20(27)24-16-8-10-17-15(11-16)12-22-26-17)18(25-21(28)23-13)9-7-14-5-3-2-4-6-14/h2-6,8,10-12,18H,7,9H2,1H3,(H,22,26)(H,24,27)(H2,23,25,28).
What are the key properties of N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 11749186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).