2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide

C22H23FN6O3 — CID 176791137

IUPAC2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCc1nn(-c2ncc(C(=O)NC3CCN(C(=O)C4COC4)CC3)cn2)c2cc(F)ccc12
InChIInChI=1S/C22H23FN6O3/c1-13-18-3-2-16(23)8-19(18)29(27-13)22-24-9-14(10-25-22)20(30)26-17-4-6-28(7-5-17)21(31)15-11-32-12-15/h2-3,8-10,15,17H,4-7,11-12H2,1H3,(H,26,30)
InChIKeySXZNHKXJDCZJGH-UHFFFAOYSA-N
MW438.46 g/mol
LogP1.63
Rot. Bonds4

About 2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide

2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide (PubChem CID 176791137) has the molecular formula C22H23FN6O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is 2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
PubChem CID176791137
Molecular FormulaC22H23FN6O3
Molecular Weight438.46 g/mol
Exact Mass438.18
IUPAC Name2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCc1nn(-c2ncc(C(=O)NC3CCN(C(=O)C4COC4)CC3)cn2)c2cc(F)ccc12
InChIInChI=1S/C22H23FN6O3/c1-13-18-3-2-16(23)8-19(18)29(27-13)22-24-9-14(10-25-22)20(30)26-17-4-6-28(7-5-17)21(31)15-11-32-12-15/h2-3,8-10,15,17H,4-7,11-12H2,1H3,(H,26,30)
InChIKeySXZNHKXJDCZJGH-UHFFFAOYSA-N
XLogP1.63
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 176790936
tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate
CID 176790813
N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
CID 176791101
2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide
CID 176790881
N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
CID 176790912
6-(6-chloro-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 176791178
2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide
CID 176791194
ethyl 4-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 109252241
1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 38212810
6-fluoro-N-(oxan-4-yl)quinoline-3-carboxamide
CID 166186547
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide
CID 134522059
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide (CID 176791137) is 2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide is Cc1nn(-c2ncc(C(=O)NC3CCN(C(=O)C4COC4)CC3)cn2)c2cc(F)ccc12.
What is the InChIKey of 2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is SXZNHKXJDCZJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O3/c1-13-18-3-2-16(23)8-19(18)29(27-13)22-24-9-14(10-25-22)20(30)26-17-4-6-28(7-5-17)21(31)15-11-32-12-15/h2-3,8-10,15,17H,4-7,11-12H2,1H3,(H,26,30).
What are the key properties of 2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide?
2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 176791137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).