N-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C27H23F2N5O2 — CID 170712727

IUPACN-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnn3c2C(=O)N(c2ccc(CC4CC5(C4)CC5(F)F)cc2)CC3)c1
InChIInChI=1S/C27H23F2N5O2/c28-27(29)16-26(27)12-19(13-26)10-17-4-6-21(7-5-17)33-8-9-34-23(25(33)36)22(15-31-34)24(35)32-20-3-1-2-18(11-20)14-30/h1-7,11,15,19H,8-10,12-13,16H2,(H,32,35)
InChIKeyLNUKJZYGZHHOHH-UHFFFAOYSA-N
MW487.51 g/mol
LogP4.65
Rot. Bonds5

About N-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

N-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 170712727) has the molecular formula C27H23F2N5O2 and a molecular weight of 487.51 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID170712727
Molecular FormulaC27H23F2N5O2
Molecular Weight487.51 g/mol
Exact Mass487.18
IUPAC NameN-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnn3c2C(=O)N(c2ccc(CC4CC5(C4)CC5(F)F)cc2)CC3)c1
InChIInChI=1S/C27H23F2N5O2/c28-27(29)16-26(27)12-19(13-26)10-17-4-6-21(7-5-17)33-8-9-34-23(25(33)36)22(15-31-34)24(35)32-20-3-1-2-18(11-20)14-30/h1-7,11,15,19H,8-10,12-13,16H2,(H,32,35)
InChIKeyLNUKJZYGZHHOHH-UHFFFAOYSA-N
XLogP4.65
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 170713044
CID 170713044
1-[[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 164577937
N-(3'-fluoro-4-biphenylyl)-1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinecarboxamide
CID 45170174
N,N'-bis(2-fluoro-5-methylphenyl)-1-methyl-1H-pyrazole-4,5-dicarboxamide
CID 29096933
(7S)-5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-methyl-1H-pyridine-2-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 117824666
2-(3-cyanophenyl)-N-[5-[3-cyclopropyl-1-(2-oxopyrazin-1-yl)propyl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 118355639
2-(3-cyanophenyl)-N-[3-[3-cyclopropyl-1-(2-oxopyridin-1-yl)propyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 118355905
2-(3-cyanophenyl)-N-[3-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 118356201
4-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693704
3-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693719
3-fluoro-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693746
4-fluoro-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693759

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 170712727) is N-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is N#Cc1cccc(NC(=O)c2cnn3c2C(=O)N(c2ccc(CC4CC5(C4)CC5(F)F)cc2)CC3)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is LNUKJZYGZHHOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N5O2/c28-27(29)16-26(27)12-19(13-26)10-17-4-6-21(7-5-17)33-8-9-34-23(25(33)36)22(15-31-34)24(35)32-20-3-1-2-18(11-20)14-30/h1-7,11,15,19H,8-10,12-13,16H2,(H,32,35).
What are the key properties of N-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 487.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-[4-[(2,2-difluorospiro[2.3]hexan-5-yl)methyl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 170712727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).