N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide

C24H23F3N4O3 — CID 168788000

IUPACN-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1ccc2c(c1)c1cn(C)nc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H23F3N4O3/c1-30-12-18-17-11-14(23(32)28-19-13-34-10-9-21(19)33-2)3-8-20(17)31(22(18)29-30)16-6-4-15(5-7-16)24(25,26)27/h3-8,11-12,19,21H,9-10,13H2,1-2H3,(H,28,32)/t19-,21-/m1/s1
InChIKeyYWMAPPHJBQDRAT-TZIWHRDSSA-N
MW472.47 g/mol
LogP4.07
Rot. Bonds4

About N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide

N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide (PubChem CID 168788000) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
PubChem CID168788000
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC NameN-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1ccc2c(c1)c1cn(C)nc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H23F3N4O3/c1-30-12-18-17-11-14(23(32)28-19-13-34-10-9-21(19)33-2)3-8-20(17)31(22(18)29-30)16-6-4-15(5-7-16)24(25,26)27/h3-8,11-12,19,21H,9-10,13H2,1-2H3,(H,28,32)/t19-,21-/m1/s1
InChIKeyYWMAPPHJBQDRAT-TZIWHRDSSA-N
XLogP4.07
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide?
The IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide (CID 168788000) is N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide is CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc2c(c1)c1cn(C)nc1n2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide?
The InChIKey is YWMAPPHJBQDRAT-TZIWHRDSSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-30-12-18-17-11-14(23(32)28-19-13-34-10-9-21(19)33-2)3-8-20(17)31(22(18)29-30)16-6-4-15(5-7-16)24(25,26)27/h3-8,11-12,19,21H,9-10,13H2,1-2H3,(H,28,32)/t19-,21-/m1/s1.
What are the key properties of N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide?
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide is sourced from PubChem (CID 168788000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).