4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine

C18H18FN5O2S — CID 167130352

IUPAC4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine
SMILESCS(=O)(=O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(N)c3)c2C1
InChIInChI=1S/C18H18FN5O2S/c1-27(25,26)23-8-9-24-15(11-23)17(13-6-7-21-16(20)10-13)18(22-24)12-2-4-14(19)5-3-12/h2-7,10H,8-9,11H2,1H3,(H2,20,21)
InChIKeyPTBMMDSWOWGKIE-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.11
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine

4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine (PubChem CID 167130352) has the molecular formula C18H18FN5O2S and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine
PubChem CID167130352
Molecular FormulaC18H18FN5O2S
Molecular Weight387.44 g/mol
Exact Mass387.12
IUPAC Name4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine
SMILESCS(=O)(=O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(N)c3)c2C1
InChIInChI=1S/C18H18FN5O2S/c1-27(25,26)23-8-9-24-15(11-23)17(13-6-7-21-16(20)10-13)18(22-24)12-2-4-14(19)5-3-12/h2-7,10H,8-9,11H2,1H3,(H2,20,21)
InChIKeyPTBMMDSWOWGKIE-UHFFFAOYSA-N
XLogP2.11
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanethione
CID 167130627
tert-butyl N-[4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]carbamate
CID 169099891
(4-fluorophenyl)-[2-(4-fluorophenyl)-3-(2-methyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 167130400
4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine
CID 166068461
N-[4-[5-cyclopropyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]formamide
CID 167130611
3-(dimethylamino)-1-[2-(4-fluorophenyl)-3-[2-(trideuteriomethyl)-4-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 172687958
N-[4-[5-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]acetamide
CID 167130345
N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide
CID 167130311
N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide
CID 176877371
6-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
CID 122590020
N-[2-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]oxan-4-yl]acetamide
CID 176877374
N-[4-[2-(4-fluorophenyl)-5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 170327423

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine (CID 167130352) is 4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine is CS(=O)(=O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(N)c3)c2C1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine?
The InChIKey is PTBMMDSWOWGKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2S/c1-27(25,26)23-8-9-24-15(11-23)17(13-6-7-21-16(20)10-13)18(22-24)12-2-4-14(19)5-3-12/h2-7,10H,8-9,11H2,1H3,(H2,20,21).
What are the key properties of 4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine?
4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine has a molecular weight of 387.44 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-amine is sourced from PubChem (CID 167130352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).