1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide

C22H21ClF3N7O3 — CID 163294872

IUPAC1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4ncc(C(F)(F)F)cn4)CC3)[nH]n2)c(Cl)cn1
InChIInChI=1S/C22H21ClF3N7O3/c1-36-19-6-14(15(23)10-29-19)16-7-17(32-31-16)21(35)33-4-2-12(3-5-33)20(34)30-11-18-27-8-13(9-28-18)22(24,25)26/h6-10,12H,2-5,11H2,1H3,(H,30,34)(H,31,32)
InChIKeyBTYFIKMVQKAXBK-UHFFFAOYSA-N
MW523.90 g/mol
LogP3.11
Rot. Bonds6

About 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide

1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 163294872) has the molecular formula C22H21ClF3N7O3 and a molecular weight of 523.90 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide
PubChem CID163294872
Molecular FormulaC22H21ClF3N7O3
Molecular Weight523.90 g/mol
Exact Mass523.13
IUPAC Name1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4ncc(C(F)(F)F)cn4)CC3)[nH]n2)c(Cl)cn1
InChIInChI=1S/C22H21ClF3N7O3/c1-36-19-6-14(15(23)10-29-19)16-7-17(32-31-16)21(35)33-4-2-12(3-5-33)20(34)30-11-18-27-8-13(9-28-18)22(24,25)26/h6-10,12H,2-5,11H2,1H3,(H,30,34)(H,31,32)
InChIKeyBTYFIKMVQKAXBK-UHFFFAOYSA-N
XLogP3.11
TPSA125.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.90
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,2-difluoro-2-phenylethyl)piperidine-4-carboxamide
CID 163295674
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-4-carboxamide
CID 163295979
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide
CID 163294837
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2-methoxy-2-methylpentyl)piperidine-4-carboxamide
CID 175578148
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,3-dioxol-2-ylmethyl)piperidine-4-carboxamide
CID 169094997
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(4,4-difluoro-5-oxopyrrolidin-2-yl)methyl]piperidine-4-carboxamide
CID 163295601
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(isoquinolin-6-ylmethyl)piperidine-4-carboxamide
CID 163296059
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 163295231
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(2,3-difluorophenyl)piperidine-4-carboxamide
CID 163295884
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(5-oxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 163295488
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-fluoro-1,2-benzoxazol-3-yl)piperidine-4-carboxamide
CID 167375416
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(3,4-dihydro-1H-isochromen-4-yl)piperidine-4-carboxamide
CID 163295849

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide (CID 163294872) is 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide is COc1cc(-c2cc(C(=O)N3CCC(C(=O)NCc4ncc(C(F)(F)F)cn4)CC3)[nH]n2)c(Cl)cn1.
What is the InChIKey of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is BTYFIKMVQKAXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N7O3/c1-36-19-6-14(15(23)10-29-19)16-7-17(32-31-16)21(35)33-4-2-12(3-5-33)20(34)30-11-18-27-8-13(9-28-18)22(24,25)26/h6-10,12H,2-5,11H2,1H3,(H,30,34)(H,31,32).
What are the key properties of 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide?
1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 523.90 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-chloro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 163294872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).