N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide

C24H21N5O2S — CID 135249386

IUPACN-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2cc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)ccc2c1
InChIInChI=1S/C24H21N5O2S/c1-32(30,31)28-21-9-8-18-12-20(7-6-19(18)13-21)22-15-27-29-11-10-26-23(24(22)29)17-4-2-16(14-25)3-5-17/h4,6-13,15-16,28H,2-3,5H2,1H3
InChIKeyDHURJGSYCYNJMM-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.63
Rot. Bonds4

About N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide

N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide (PubChem CID 135249386) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide
PubChem CID135249386
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC NameN-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2cc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)ccc2c1
InChIInChI=1S/C24H21N5O2S/c1-32(30,31)28-21-9-8-18-12-20(7-6-19(18)13-21)22-15-27-29-11-10-26-23(24(22)29)17-4-2-16(14-25)3-5-17/h4,6-13,15-16,28H,2-3,5H2,1H3
InChIKeyDHURJGSYCYNJMM-UHFFFAOYSA-N
XLogP4.63
TPSA100.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
CID 135249299
N-[6-[4-(3-cyano-8-bicyclo[3.2.1]octanyl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;N-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]methanesulfonamide;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;N-[6-[4-(3-isocyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide
CID 159336104
methyl 4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylbenzoate
CID 135249341
4-[5-(1-methylindazol-6-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile
CID 135260477
4-[5-(2-methoxyquinolin-6-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile
CID 135260439
(1S)-4-(6-methoxy-3-pyridinyl)cyclohex-3-ene-1-carbonitrile
CID 139511925
N-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide
CID 91147491
4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile
CID 135249546
N-[3-(4-cyanophenyl)-1-(dicyclopropylmethyl)indol-6-yl]methanesulfonamide
CID 57442256
N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide
CID 67101128
N-[6-[5-(2,4-dioxopyrimidin-1-yl)-2-methoxy-3-phenylphenyl]naphthalen-2-yl]methanesulfonamide
CID 25234131
N-[6-[3-bromo-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide
CID 25235035

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide?
The IUPAC name of N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide (CID 135249386) is N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide.
What is the SMILES notation for N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide?
The canonical SMILES for N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2cc(-c3cnn4ccnc(C5=CCC(C#N)CC5)c34)ccc2c1.
What is the InChIKey of N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide?
The InChIKey is DHURJGSYCYNJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-32(30,31)28-21-9-8-18-12-20(7-6-19(18)13-21)22-15-27-29-11-10-26-23(24(22)29)17-4-2-16(14-25)3-5-17/h4,6-13,15-16,28H,2-3,5H2,1H3.
What are the key properties of N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide?
N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide has a molecular weight of 443.53 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 135249386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).