N-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide

C31H37ClN10O3 — CID 90256957

IUPACN-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCN(c3nc(-c4cncc(N5C[C@@H](C)O[C@@H](C)C5)n4)cnc3N)CC2)c(=O)n(-c2ccccc2Cl)n1C
InChIInChI=1S/C31H37ClN10O3/c1-18-16-41(17-19(2)45-18)26-15-34-13-23(37-26)24-14-35-28(33)29(38-24)40-11-9-21(10-12-40)36-30(43)27-20(3)39(4)42(31(27)44)25-8-6-5-7-22(25)32/h5-8,13-15,18-19,21H,9-12,16-17H2,1-4H3,(H2,33,35)(H,36,43)/t18-,19+
InChIKeyAODWSLORXLGAAE-KDURUIRLSA-N
MW633.16 g/mol
LogP2.98
Rot. Bonds6

About N-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide

N-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide (PubChem CID 90256957) has the molecular formula C31H37ClN10O3 and a molecular weight of 633.16 g/mol. Its IUPAC name is N-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
PubChem CID90256957
Molecular FormulaC31H37ClN10O3
Molecular Weight633.16 g/mol
Exact Mass632.27
IUPAC NameN-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCN(c3nc(-c4cncc(N5C[C@@H](C)O[C@@H](C)C5)n4)cnc3N)CC2)c(=O)n(-c2ccccc2Cl)n1C
InChIInChI=1S/C31H37ClN10O3/c1-18-16-41(17-19(2)45-18)26-15-34-13-23(37-26)24-14-35-28(33)29(38-24)40-11-9-21(10-12-40)36-30(43)27-20(3)39(4)42(31(27)44)25-8-6-5-7-22(25)32/h5-8,13-15,18-19,21H,9-12,16-17H2,1-4H3,(H2,33,35)(H,36,43)/t18-,19+
InChIKeyAODWSLORXLGAAE-KDURUIRLSA-N
XLogP2.98
TPSA149.32 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.16
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide with MolForge

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Related Compounds

N-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 90256876
N-[6-[3-amino-6-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]pyrazin-2-yl]-3-pyridinyl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 90256654
N-[6-[3-amino-6-[1-(oxetan-3-yl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-3-pyridinyl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 90256874
N-[4-[3-amino-6-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90256631
2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172903205
2-methyl-N-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172891004
1-ethyl-5-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-oxo-2-phenylpyrazole-4-carboxamide
CID 144737893
1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine
CID 144738293
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
CID 89003008
CID 89003008
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 126781803
N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
CID 33378138

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
The IUPAC name of N-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide (CID 90256957) is N-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
The canonical SMILES for N-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide is Cc1c(C(=O)NC2CCN(c3nc(-c4cncc(N5C[C@@H](C)O[C@@H](C)C5)n4)cnc3N)CC2)c(=O)n(-c2ccccc2Cl)n1C.
What is the InChIKey of N-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
The InChIKey is AODWSLORXLGAAE-KDURUIRLSA-N. The full InChI is InChI=1S/C31H37ClN10O3/c1-18-16-41(17-19(2)45-18)26-15-34-13-23(37-26)24-14-35-28(33)29(38-24)40-11-9-21(10-12-40)36-30(43)27-20(3)39(4)42(31(27)44)25-8-6-5-7-22(25)32/h5-8,13-15,18-19,21H,9-12,16-17H2,1-4H3,(H2,33,35)(H,36,43)/t18-,19+.
What are the key properties of N-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
N-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide has a molecular weight of 633.16 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-amino-6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]pyrazin-2-yl]piperidin-4-yl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide is sourced from PubChem (CID 90256957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).