N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide

C26H25FN4O — CID 67231003

IUPACN-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(CCc2c[nH]c3ccccc23)CC2CC2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C26H25FN4O/c1-17-28-15-23(25(30-17)19-8-10-21(27)11-9-19)26(32)31(16-18-6-7-18)13-12-20-14-29-24-5-3-2-4-22(20)24/h2-5,8-11,14-15,18,29H,6-7,12-13,16H2,1H3
InChIKeyIAMUMOSTTATHOK-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.17
Rot. Bonds7

About N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide

N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide (PubChem CID 67231003) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide
PubChem CID67231003
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC NameN-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(CCc2c[nH]c3ccccc23)CC2CC2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C26H25FN4O/c1-17-28-15-23(25(30-17)19-8-10-21(27)11-9-19)26(32)31(16-18-6-7-18)13-12-20-14-29-24-5-3-2-4-22(20)24/h2-5,8-11,14-15,18,29H,6-7,12-13,16H2,1H3
InChIKeyIAMUMOSTTATHOK-UHFFFAOYSA-N
XLogP5.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-3-chlorophenyl)-N-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide
CID 67231113
N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide
CID 45376144
N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 67232730
N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide
CID 67394732
4-(3,4-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 67232399
N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide
CID 1057302
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]naphthalene-1-carboxamide
CID 42777758
N-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 143507246
N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 67232481
N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 67234284
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67395183
N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 4131063

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide (CID 67231003) is N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)N(CCc2c[nH]c3ccccc23)CC2CC2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is IAMUMOSTTATHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c1-17-28-15-23(25(30-17)19-8-10-21(27)11-9-19)26(32)31(16-18-6-7-18)13-12-20-14-29-24-5-3-2-4-22(20)24/h2-5,8-11,14-15,18,29H,6-7,12-13,16H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide?
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 67231003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).