1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C26H21Cl2F6N7O2 — CID 118380912

IUPAC1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)N[C@H](C)c3ccc(Cl)c(C(F)(F)F)c3)c2cn1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C26H21Cl2F6N7O2/c1-11(13-3-5-18(27)16(7-13)25(29,30)31)36-23(42)38-21-9-20-15(10-35-21)22(41-40-20)39-24(43)37-12(2)14-4-6-19(28)17(8-14)26(32,33)34/h3-12H,1-2H3,(H2,35,36,38,42)(H3,37,39,40,41,43)/t11-,12-/m1/s1
InChIKeyCUMFSUPSCSPCQQ-VXGBXAGGSA-N
MW648.39 g/mol
LogP8.07
Rot. Bonds6

About 1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 118380912) has the molecular formula C26H21Cl2F6N7O2 and a molecular weight of 648.39 g/mol. Its IUPAC name is 1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID118380912
Molecular FormulaC26H21Cl2F6N7O2
Molecular Weight648.39 g/mol
Exact Mass647.10
IUPAC Name1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)N[C@H](C)c3ccc(Cl)c(C(F)(F)F)c3)c2cn1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C26H21Cl2F6N7O2/c1-11(13-3-5-18(27)16(7-13)25(29,30)31)36-23(42)38-21-9-20-15(10-35-21)22(41-40-20)39-24(43)37-12(2)14-4-6-19(28)17(8-14)26(32,33)34/h3-12H,1-2H3,(H2,35,36,38,42)(H3,37,39,40,41,43)/t11-,12-/m1/s1
InChIKeyCUMFSUPSCSPCQQ-VXGBXAGGSA-N
XLogP8.07
TPSA123.83 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.39
LogP ≤ 58.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea 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

[6-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamic acid
CID 118380861
1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
CID 118271686
[6-[[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl] carbamate
CID 118381378
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365369
2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118271641
methyl N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395286
1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381040
N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide
CID 118380874
1-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381394
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555390
N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 141025171
1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365227

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 118380912) is 1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)N[C@H](C)c3ccc(Cl)c(C(F)(F)F)c3)c2cn1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is CUMFSUPSCSPCQQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C26H21Cl2F6N7O2/c1-11(13-3-5-18(27)16(7-13)25(29,30)31)36-23(42)38-21-9-20-15(10-35-21)22(41-40-20)39-24(43)37-12(2)14-4-6-19(28)17(8-14)26(32,33)34/h3-12H,1-2H3,(H2,35,36,38,42)(H3,37,39,40,41,43)/t11-,12-/m1/s1.
What are the key properties of 1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 648.39 g/mol, XLogP of 8.07, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-3-[3-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 118380912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).