azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine

C27H31FN6 — CID 175348002

IUPACazane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCN1CCN(c2ccc(-c3n[nH]c4cnc(-c5cc(F)cc(C6(C)CC6)c5)cc34)cc2)CC1.N
InChIInChI=1S/C27H28FN5.H3N/c1-27(7-8-27)20-13-19(14-21(28)15-20)24-16-23-25(17-29-24)30-31-26(23)18-3-5-22(6-4-18)33-11-9-32(2)10-12-33;/h3-6,13-17H,7-12H2,1-2H3,(H,30,31);1H3
InChIKeyRIYFFVXEHRSTBM-UHFFFAOYSA-N
MW458.59 g/mol
LogP5.40
Rot. Bonds4

About azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine

azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 175348002) has the molecular formula C27H31FN6 and a molecular weight of 458.59 g/mol. Its IUPAC name is azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Nameazane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID175348002
Molecular FormulaC27H31FN6
Molecular Weight458.59 g/mol
Exact Mass458.26
IUPAC Nameazane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCN1CCN(c2ccc(-c3n[nH]c4cnc(-c5cc(F)cc(C6(C)CC6)c5)cc34)cc2)CC1.N
InChIInChI=1S/C27H28FN5.H3N/c1-27(7-8-27)20-13-19(14-21(28)15-20)24-16-23-25(17-29-24)30-31-26(23)18-3-5-22(6-4-18)33-11-9-32(2)10-12-33;/h3-6,13-17H,7-12H2,1-2H3,(H,30,31);1H3
InChIKeyRIYFFVXEHRSTBM-UHFFFAOYSA-N
XLogP5.40
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.59
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine 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

5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
CID 134327883
6,8-difluoro-N-methyl-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 134328012
1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol
CID 158943505
8-fluoro-7-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]quinoline
CID 134326986
1-[3,5-difluoro-4-[3-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylmethanamine
CID 134327802
15-fluoro-5-(4-methylpiperazin-1-yl)-7,10-dioxa-18,21,22-triazapentacyclo[15.5.2.12,6.011,16.020,23]pentacosa-1(22),2(25),3,5,11(16),12,14,17,19,23-decaene
CID 172516111
3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-indazole
CID 167350617
2,6-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile
CID 24961305
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 135308471
3-[5-bromo-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253670
4-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]morpholine
CID 175820266
3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 167062343

Frequently Asked Questions

What is the IUPAC name of azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine (CID 175348002) is azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine is CN1CCN(c2ccc(-c3n[nH]c4cnc(-c5cc(F)cc(C6(C)CC6)c5)cc34)cc2)CC1.N.
What is the InChIKey of azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is RIYFFVXEHRSTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5.H3N/c1-27(7-8-27)20-13-19(14-21(28)15-20)24-16-23-25(17-29-24)30-31-26(23)18-3-5-22(6-4-18)33-11-9-32(2)10-12-33;/h3-6,13-17H,7-12H2,1-2H3,(H,30,31);1H3.
What are the key properties of azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine?
azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 458.59 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 175348002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).