(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C19H23ClFN5O2 — CID 121484191

IUPAC(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@H]1Cn2ncc(N3CCC(O)CC3)c2CN1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H23ClFN5O2/c1-12-10-26-18(17(9-22-26)24-6-4-14(27)5-7-24)11-25(12)19(28)23-13-2-3-16(21)15(20)8-13/h2-3,8-9,12,14,27H,4-7,10-11H2,1H3,(H,23,28)/t12-/m0/s1
InChIKeyYBOFDAGXLGWSAU-LBPRGKRZSA-N
MW407.88 g/mol
LogP3.07
Rot. Bonds2

About (6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484191) has the molecular formula C19H23ClFN5O2 and a molecular weight of 407.88 g/mol. Its IUPAC name is (6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484191
Molecular FormulaC19H23ClFN5O2
Molecular Weight407.88 g/mol
Exact Mass407.15
IUPAC Name(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@H]1Cn2ncc(N3CCC(O)CC3)c2CN1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H23ClFN5O2/c1-12-10-26-18(17(9-22-26)24-6-4-14(27)5-7-24)11-25(12)19(28)23-13-2-3-16(21)15(20)8-13/h2-3,8-9,12,14,27H,4-7,10-11H2,1H3,(H,23,28)/t12-/m0/s1
InChIKeyYBOFDAGXLGWSAU-LBPRGKRZSA-N
XLogP3.07
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484126
N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484605
(6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 166828040
(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484451
N-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484608
(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484066
N-(3-chloro-4-fluorophenyl)-3-(3-cyanopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483810
N-(3-chloro-4-fluorophenyl)-4-(3,5-dichloro-4-pyridinyl)-7-methyl-1,4-diazepane-1-carboxamide
CID 118068249
3-(4-cyanopyrazol-1-yl)-N-(4-fluoro-3-methylphenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 145121188
N-(3-chloro-4-fluorophenyl)-4-(3,5-dichloro-4-pyridinyl)-2-methyl-1,4-diazepane-1-carboxamide
CID 118068244
1-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 121484318
tert-butyl (6S)-3-(3,3-difluoropyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-N-(3-chloro-4-fluorophenyl)-3-(3,3-difluoropyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3,3-difluoropyrrolidine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;hydrochloride
CID 159083072

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484191) is (6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@H]1Cn2ncc(N3CCC(O)CC3)c2CN1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of (6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is YBOFDAGXLGWSAU-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23ClFN5O2/c1-12-10-26-18(17(9-22-26)24-6-4-14(27)5-7-24)11-25(12)19(28)23-13-2-3-16(21)15(20)8-13/h2-3,8-9,12,14,27H,4-7,10-11H2,1H3,(H,23,28)/t12-/m0/s1.
What are the key properties of (6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 407.88 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).