6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine

C35H28F7N13OS2 — CID 170964630

IUPAC6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine
SMILESC/C=C\c1cc(F)cc(NSc2ccc(-n3cc(C(F)(F)F)cn3)nc2)c1N(C)NOc1ncc2cnn(C)c2c1NSc1ccc(-n2cc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C35H28F7N13OS2/c1-4-5-20-10-24(36)11-27(49-57-25-6-8-28(43-16-25)54-18-22(14-47-54)34(37,38)39)31(20)53(3)51-56-33-30(32-21(12-45-33)13-46-52(32)2)50-58-26-7-9-29(44-17-26)55-19-23(15-48-55)35(40,41)42/h4-19,49-51H,1-3H3/b5-4-
InChIKeyDTHGOFYPIPQCGX-PLNGDYQASA-N
MW843.82 g/mol
LogP8.51
Rot. Bonds13

About 6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine

6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine (PubChem CID 170964630) has the molecular formula C35H28F7N13OS2 and a molecular weight of 843.82 g/mol. Its IUPAC name is 6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine.

Molecular Properties

Compound Name6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine
PubChem CID170964630
Molecular FormulaC35H28F7N13OS2
Molecular Weight843.82 g/mol
Exact Mass843.19
IUPAC Name6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine
SMILESC/C=C\c1cc(F)cc(NSc2ccc(-n3cc(C(F)(F)F)cn3)nc2)c1N(C)NOc1ncc2cnn(C)c2c1NSc1ccc(-n2cc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C35H28F7N13OS2/c1-4-5-20-10-24(36)11-27(49-57-25-6-8-28(43-16-25)54-18-22(14-47-54)34(37,38)39)31(20)53(3)51-56-33-30(32-21(12-45-33)13-46-52(32)2)50-58-26-7-9-29(44-17-26)55-19-23(15-48-55)35(40,41)42/h4-19,49-51H,1-3H3/b5-4-
InChIKeyDTHGOFYPIPQCGX-PLNGDYQASA-N
XLogP8.51
TPSA140.69 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.82
LogP ≤ 58.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine with MolForge

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Related Compounds

6-methoxy-2-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]indazol-7-amine
CID 170964674
N-(1,6-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 170965119
N-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 171463665
N-[[6-[(Z)-3-amino-4,4,4-trifluorobut-2-enimidoyl]-3-pyridinyl]sulfanyl]-6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-amine;ethane
CID 170964690
4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide
CID 170965185
N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]sulfanyl]-6-methoxy-1-methylindazol-7-amine
CID 170964934
1-[5-[(6-methoxy-1-methylindazol-7-yl)amino]sulfanyl-2-pyridinyl]-3,4-dimethylimidazol-2-one
CID 170964719
6-ethyl-1-methyl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]sulfanyl]indazol-7-amine
CID 170964638
1-methyl-N-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]sulfanylindazol-7-amine
CID 170969390
5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 107086174
N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170969003
N-(6-methoxy-2-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 170964743

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine?
The IUPAC name of 6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine (CID 170964630) is 6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine.
What is the SMILES notation for 6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine?
The canonical SMILES for 6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine is C/C=C\c1cc(F)cc(NSc2ccc(-n3cc(C(F)(F)F)cn3)nc2)c1N(C)NOc1ncc2cnn(C)c2c1NSc1ccc(-n2cc(C(F)(F)F)cn2)nc1.
What is the InChIKey of 6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine?
The InChIKey is DTHGOFYPIPQCGX-PLNGDYQASA-N. The full InChI is InChI=1S/C35H28F7N13OS2/c1-4-5-20-10-24(36)11-27(49-57-25-6-8-28(43-16-25)54-18-22(14-47-54)34(37,38)39)31(20)53(3)51-56-33-30(32-21(12-45-33)13-46-52(32)2)50-58-26-7-9-29(44-17-26)55-19-23(15-48-55)35(40,41)42/h4-19,49-51H,1-3H3/b5-4-.
What are the key properties of 6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine?
6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine has a molecular weight of 843.82 g/mol, XLogP of 8.51, 13 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-fluoro-2-[(Z)-prop-1-enyl]-6-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanylamino]phenyl]-2-methylhydrazinyl]oxy-1-methyl-N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfanyl]pyrazolo[4,3-c]pyridin-7-amine is sourced from PubChem (CID 170964630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).