N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide

C21H19F6N5O — CID 165403166

IUPACN-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(C2(C(F)(F)F)CC2)nc1)c1cc2cnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C21H19F6N5O/c1-12(15-7-14-9-30-32(11-20(22,23)24)16(14)10-28-15)31-18(33)6-13-2-3-17(29-8-13)19(4-5-19)21(25,26)27/h2-3,7-10,12H,4-6,11H2,1H3,(H,31,33)/t12-/m1/s1
InChIKeyNVJMCXVBUSEYTQ-GFCCVEGCSA-N
MW471.41 g/mol
LogP4.40
Rot. Bonds6

About N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide

N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide (PubChem CID 165403166) has the molecular formula C21H19F6N5O and a molecular weight of 471.41 g/mol. Its IUPAC name is N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide
PubChem CID165403166
Molecular FormulaC21H19F6N5O
Molecular Weight471.41 g/mol
Exact Mass471.15
IUPAC NameN-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(C2(C(F)(F)F)CC2)nc1)c1cc2cnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C21H19F6N5O/c1-12(15-7-14-9-30-32(11-20(22,23)24)16(14)10-28-15)31-18(33)6-13-2-3-17(29-8-13)19(4-5-19)21(25,26)27/h2-3,7-10,12H,4-6,11H2,1H3,(H,31,33)/t12-/m1/s1
InChIKeyNVJMCXVBUSEYTQ-GFCCVEGCSA-N
XLogP4.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide?
The IUPAC name of N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide (CID 165403166) is N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide is C[C@@H](NC(=O)Cc1ccc(C2(C(F)(F)F)CC2)nc1)c1cc2cnn(CC(F)(F)F)c2cn1.
What is the InChIKey of N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide?
The InChIKey is NVJMCXVBUSEYTQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H19F6N5O/c1-12(15-7-14-9-30-32(11-20(22,23)24)16(14)10-28-15)31-18(33)6-13-2-3-17(29-8-13)19(4-5-19)21(25,26)27/h2-3,7-10,12H,4-6,11H2,1H3,(H,31,33)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide?
N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide has a molecular weight of 471.41 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 165403166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).