2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide

C24H30N6O2 — CID 91954044

IUPAC2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2cc(C(C)C)nc(N3CCCCCC3)n2)n[nH]1
InChIInChI=1S/C24H30N6O2/c1-16(2)18-14-20(26-24(25-18)30-12-8-4-5-9-13-30)23(31)27-22-15-19(28-29-22)17-10-6-7-11-21(17)32-3/h6-7,10-11,14-16H,4-5,8-9,12-13H2,1-3H3,(H2,27,28,29,31)
InChIKeyMFALDULJGGNAJR-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.63
Rot. Bonds6

About 2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide

2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 91954044) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide
PubChem CID91954044
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2cc(C(C)C)nc(N3CCCCCC3)n2)n[nH]1
InChIInChI=1S/C24H30N6O2/c1-16(2)18-14-20(26-24(25-18)30-12-8-4-5-9-13-30)23(31)27-22-15-19(28-29-22)17-10-6-7-11-21(17)32-3/h6-7,10-11,14-16H,4-5,8-9,12-13H2,1-3H3,(H2,27,28,29,31)
InChIKeyMFALDULJGGNAJR-UHFFFAOYSA-N
XLogP4.63
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide
CID 91945584
N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830560
4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566131
(3R)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52513892
(3S)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52513893
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 56552601
2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide
CID 91945576
2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 71830697
2-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 51099256
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 51099249
methyl N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 97211863
2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 56552729

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide (CID 91954044) is 2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide is COc1ccccc1-c1cc(NC(=O)c2cc(C(C)C)nc(N3CCCCCC3)n2)n[nH]1.
What is the InChIKey of 2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is MFALDULJGGNAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-16(2)18-14-20(26-24(25-18)30-12-8-4-5-9-13-30)23(31)27-22-15-19(28-29-22)17-10-6-7-11-21(17)32-3/h6-7,10-11,14-16H,4-5,8-9,12-13H2,1-3H3,(H2,27,28,29,31).
What are the key properties of 2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide?
2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91954044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).