propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate

C22H25FN6O3 — CID 176790936

IUPACpropan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
SMILESCc1nn(-c2ncc(C(=O)NC3CCN(C(=O)OC(C)C)CC3)cn2)c2cc(F)ccc12
InChIInChI=1S/C22H25FN6O3/c1-13(2)32-22(31)28-8-6-17(7-9-28)26-20(30)15-11-24-21(25-12-15)29-19-10-16(23)4-5-18(19)14(3)27-29/h4-5,10-13,17H,6-9H2,1-3H3,(H,26,30)
InChIKeyFTDIRNDIMIWENZ-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.00
Rot. Bonds4

About propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate

propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 176790936) has the molecular formula C22H25FN6O3 and a molecular weight of 440.48 g/mol. Its IUPAC name is propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
PubChem CID176790936
Molecular FormulaC22H25FN6O3
Molecular Weight440.48 g/mol
Exact Mass440.20
IUPAC Namepropan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
SMILESCc1nn(-c2ncc(C(=O)NC3CCN(C(=O)OC(C)C)CC3)cn2)c2cc(F)ccc12
InChIInChI=1S/C22H25FN6O3/c1-13(2)32-22(31)28-8-6-17(7-9-28)26-20(30)15-11-24-21(25-12-15)29-19-10-16(23)4-5-18(19)14(3)27-29/h4-5,10-13,17H,6-9H2,1-3H3,(H,26,30)
InChIKeyFTDIRNDIMIWENZ-UHFFFAOYSA-N
XLogP3.00
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

2-(6-fluoro-3-methylindazol-1-yl)-N-[1-(oxetane-3-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 176791137
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
N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
CID 176790912
propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate
CID 133388898
2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide
CID 176790881
ethyl 4-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 109252241
ethyl 4-[[5-(cyclopropylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109247316
ethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 109261821
2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide
CID 176791194
6-(6-chloro-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 176791178
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate (CID 176790936) is propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate is Cc1nn(-c2ncc(C(=O)NC3CCN(C(=O)OC(C)C)CC3)cn2)c2cc(F)ccc12.
What is the InChIKey of propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is FTDIRNDIMIWENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O3/c1-13(2)32-22(31)28-8-6-17(7-9-28)26-20(30)15-11-24-21(25-12-15)29-19-10-16(23)4-5-18(19)14(3)27-29/h4-5,10-13,17H,6-9H2,1-3H3,(H,26,30).
What are the key properties of propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate?
propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 440.48 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 176790936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).