(S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol

C18H19FN6O — CID 99974743

IUPAC(S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
SMILESCNc1nc(N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)ncc1F
InChIInChI=1S/C18H19FN6O/c1-20-17-14(19)10-21-18(22-17)24-7-8-25-13(11-24)9-15(23-25)16(26)12-5-3-2-4-6-12/h2-6,9-10,16,26H,7-8,11H2,1H3,(H,20,21,22)/t16-/m0/s1
InChIKeySCPIRHWMDQSONK-INIZCTEOSA-N
MW354.39 g/mol
LogP1.96
Rot. Bonds4

About (S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol

(S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol (PubChem CID 99974743) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is (S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
PubChem CID99974743
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name(S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
SMILESCNc1nc(N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)ncc1F
InChIInChI=1S/C18H19FN6O/c1-20-17-14(19)10-21-18(22-17)24-7-8-25-13(11-24)9-15(23-25)16(26)12-5-3-2-4-6-12/h2-6,9-10,16,26H,7-8,11H2,1H3,(H,20,21,22)/t16-/m0/s1
InChIKeySCPIRHWMDQSONK-INIZCTEOSA-N
XLogP1.96
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol?
The IUPAC name of (S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol (CID 99974743) is (S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol.
What is the SMILES notation for (S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol?
The canonical SMILES for (S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol is CNc1nc(N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)ncc1F.
What is the InChIKey of (S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol?
The InChIKey is SCPIRHWMDQSONK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-20-17-14(19)10-21-18(22-17)24-7-8-25-13(11-24)9-15(23-25)16(26)12-5-3-2-4-6-12/h2-6,9-10,16,26H,7-8,11H2,1H3,(H,20,21,22)/t16-/m0/s1.
What are the key properties of (S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol?
(S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol has a molecular weight of 354.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol is sourced from PubChem (CID 99974743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).