Skip to content

[(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine

C25H21ClF2N8 — CID 170430411

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESCn1cc2c(Cl)c(-c3[nH]nc4nc(N5C[C@@H]6[C@H](C5)C6(CN)c5c(F)cccc5F)cnc34)ccc2n1
InChIInChI=1S/C25H21ClF2N8/c1-35-8-13-18(34-35)6-5-12(21(13)26)22-23-24(33-32-22)31-19(7-30-23)36-9-14-15(10-36)25(14,11-29)20-16(27)3-2-4-17(20)28/h2-8,14-15H,9-11,29H2,1H3,(H,31,32,33)/t14-,15+,25?
InChIKeyZACSBXWLJLJNMD-NECONGCYSA-N
MW506.95 g/mol
LogP3.80
Rot. Bonds4

About [(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine

[(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine (PubChem CID 170430411) has the molecular formula C25H21ClF2N8 and a molecular weight of 506.95 g/mol. Its IUPAC name is [(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine.

Molecular Properties

Compound Name[(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
PubChem CID170430411
Molecular FormulaC25H21ClF2N8
Molecular Weight506.95 g/mol
Exact Mass506.15
IUPAC Name[(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
SMILESCn1cc2c(Cl)c(-c3[nH]nc4nc(N5C[C@@H]6[C@H](C5)C6(CN)c5c(F)cccc5F)cnc34)ccc2n1
InChIInChI=1S/C25H21ClF2N8/c1-35-8-13-18(34-35)6-5-12(21(13)26)22-23-24(33-32-22)31-19(7-30-23)36-9-14-15(10-36)25(14,11-29)20-16(27)3-2-4-17(20)28/h2-8,14-15H,9-11,29H2,1H3,(H,31,32,33)/t14-,15+,25?
InChIKeyZACSBXWLJLJNMD-NECONGCYSA-N
XLogP3.80
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.95
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine 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 [(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The IUPAC name of [(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine (CID 170430411) is [(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine.
What is the SMILES notation for [(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The canonical SMILES for [(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine is Cn1cc2c(Cl)c(-c3[nH]nc4nc(N5C[C@@H]6[C@H](C5)C6(CN)c5c(F)cccc5F)cnc34)ccc2n1.
What is the InChIKey of [(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
The InChIKey is ZACSBXWLJLJNMD-NECONGCYSA-N. The full InChI is InChI=1S/C25H21ClF2N8/c1-35-8-13-18(34-35)6-5-12(21(13)26)22-23-24(33-32-22)31-19(7-30-23)36-9-14-15(10-36)25(14,11-29)20-16(27)3-2-4-17(20)28/h2-8,14-15H,9-11,29H2,1H3,(H,31,32,33)/t14-,15+,25?.
What are the key properties of [(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine?
[(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine has a molecular weight of 506.95 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-[3-(4-chloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-6-(2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine is sourced from PubChem (CID 170430411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.