4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide

C35H33F3N6O2 — CID 156829941

IUPAC4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide
SMILESCc1c(-c2cc3ccc(-c4ccc(C(N)=O)cc4C(F)(F)F)cc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)ccc12
InChIInChI=1S/C35H33F3N6O2/c1-18-27-10-8-24(34(46)43-16-23-7-11-28(43)31(23)39)17-44(27)41-32(18)30-14-21-5-4-20(13-29(21)42(30)15-19-2-3-19)25-9-6-22(33(40)45)12-26(25)35(36,37)38/h4-6,8-10,12-14,17,19,23,28,31H,2-3,7,11,15-16,39H2,1H3,(H2,40,45)/t23?,28?,31-/m1/s1
InChIKeyZVAAFNKMZLRERI-SGAJGPLNSA-N
MW626.68 g/mol
LogP6.02
Rot. Bonds6

About 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide

4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide (PubChem CID 156829941) has the molecular formula C35H33F3N6O2 and a molecular weight of 626.68 g/mol. Its IUPAC name is 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide
PubChem CID156829941
Molecular FormulaC35H33F3N6O2
Molecular Weight626.68 g/mol
Exact Mass626.26
IUPAC Name4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide
SMILESCc1c(-c2cc3ccc(-c4ccc(C(N)=O)cc4C(F)(F)F)cc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)ccc12
InChIInChI=1S/C35H33F3N6O2/c1-18-27-10-8-24(34(46)43-16-23-7-11-28(43)31(23)39)17-44(27)41-32(18)30-14-21-5-4-20(13-29(21)42(30)15-19-2-3-19)25-9-6-22(33(40)45)12-26(25)35(36,37)38/h4-6,8-10,12-14,17,19,23,28,31H,2-3,7,11,15-16,39H2,1H3,(H2,40,45)/t23?,28?,31-/m1/s1
InChIKeyZVAAFNKMZLRERI-SGAJGPLNSA-N
XLogP6.02
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.68
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide (CID 156829941) is 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide is Cc1c(-c2cc3ccc(-c4ccc(C(N)=O)cc4C(F)(F)F)cc3n2CC2CC2)nn2cc(C(=O)N3CC4CCC3[C@@H]4N)ccc12.
What is the InChIKey of 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is ZVAAFNKMZLRERI-SGAJGPLNSA-N. The full InChI is InChI=1S/C35H33F3N6O2/c1-18-27-10-8-24(34(46)43-16-23-7-11-28(43)31(23)39)17-44(27)41-32(18)30-14-21-5-4-20(13-29(21)42(30)15-19-2-3-19)25-9-6-22(33(40)45)12-26(25)35(36,37)38/h4-6,8-10,12-14,17,19,23,28,31H,2-3,7,11,15-16,39H2,1H3,(H2,40,45)/t23?,28?,31-/m1/s1.
What are the key properties of 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide?
4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 626.68 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[(7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 156829941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).