6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide

C22H27ClFN5O2 — CID 118309464

IUPAC6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide
SMILESCC(C)Nc1ncc(C(=O)N(C)C)nc1N1CCC(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C22H27ClFN5O2/c1-13(2)26-20-21(27-18(12-25-20)22(31)28(3)4)29-9-7-14(8-10-29)19(30)16-11-15(23)5-6-17(16)24/h5-6,11-14H,7-10H2,1-4H3,(H,25,26)
InChIKeyMWMHIVGWGATOLY-UHFFFAOYSA-N
MW447.94 g/mol
LogP3.89
Rot. Bonds6

About 6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide

6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide (PubChem CID 118309464) has the molecular formula C22H27ClFN5O2 and a molecular weight of 447.94 g/mol. Its IUPAC name is 6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide
PubChem CID118309464
Molecular FormulaC22H27ClFN5O2
Molecular Weight447.94 g/mol
Exact Mass447.18
IUPAC Name6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide
SMILESCC(C)Nc1ncc(C(=O)N(C)C)nc1N1CCC(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C22H27ClFN5O2/c1-13(2)26-20-21(27-18(12-25-20)22(31)28(3)4)29-9-7-14(8-10-29)19(30)16-11-15(23)5-6-17(16)24/h5-6,11-14H,7-10H2,1-4H3,(H,25,26)
InChIKeyMWMHIVGWGATOLY-UHFFFAOYSA-N
XLogP3.89
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.94
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide with MolForge

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Related Compounds

(5-chloro-2-fluorophenyl)-[1-[6-methyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]methanone
CID 118159276
[1-[6-benzyl-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]piperidin-4-yl]-(5-chloro-2-fluorophenyl)methanone;2,2,2-trifluoroacetic acid
CID 131734002
(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917613
2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide
CID 90038977
1-[2-[4-(2,5-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol
CID 177190989
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxylic acid
CID 135340759
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone
CID 23048180
5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide
CID 60724229
1-[3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone;hydrochloride
CID 155520163
(2-amino-5-chlorophenyl)-cyclopentylmethanone
CID 57148453
1-(3,5-dichloro-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 171992706

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide (CID 118309464) is 6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide is CC(C)Nc1ncc(C(=O)N(C)C)nc1N1CCC(C(=O)c2cc(Cl)ccc2F)CC1.
What is the InChIKey of 6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The InChIKey is MWMHIVGWGATOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFN5O2/c1-13(2)26-20-21(27-18(12-25-20)22(31)28(3)4)29-9-7-14(8-10-29)19(30)16-11-15(23)5-6-17(16)24/h5-6,11-14H,7-10H2,1-4H3,(H,25,26).
What are the key properties of 6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide?
6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide has a molecular weight of 447.94 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl]-N,N-dimethyl-5-(propan-2-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 118309464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).