N-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide

C24H27F3N6O — CID 167224773

IUPACN-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCn1ccc2cc(C(=O)N[C@H]3CCc4nc(N5CC(C(F)(F)F)[C@@H](N)C5)ccc4C3)cnc21
InChIInChI=1S/C24H27F3N6O/c1-2-32-8-7-15-9-16(11-29-22(15)32)23(34)30-17-4-5-20-14(10-17)3-6-21(31-20)33-12-18(19(28)13-33)24(25,26)27/h3,6-9,11,17-19H,2,4-5,10,12-13,28H2,1H3,(H,30,34)/t17-,18?,19-/m0/s1
InChIKeyMMCGGAZRKGPTIR-JVUMBYKBSA-N
MW472.52 g/mol
LogP3.06
Rot. Bonds4

About N-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide

N-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 167224773) has the molecular formula C24H27F3N6O and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID167224773
Molecular FormulaC24H27F3N6O
Molecular Weight472.52 g/mol
Exact Mass472.22
IUPAC NameN-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCn1ccc2cc(C(=O)N[C@H]3CCc4nc(N5CC(C(F)(F)F)[C@@H](N)C5)ccc4C3)cnc21
InChIInChI=1S/C24H27F3N6O/c1-2-32-8-7-15-9-16(11-29-22(15)32)23(34)30-17-4-5-20-14(10-17)3-6-21(31-20)33-12-18(19(28)13-33)24(25,26)27/h3,6-9,11,17-19H,2,4-5,10,12-13,28H2,1H3,(H,30,34)/t17-,18?,19-/m0/s1
InChIKeyMMCGGAZRKGPTIR-JVUMBYKBSA-N
XLogP3.06
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide (CID 167224773) is N-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide is CCn1ccc2cc(C(=O)N[C@H]3CCc4nc(N5CC(C(F)(F)F)[C@@H](N)C5)ccc4C3)cnc21.
What is the InChIKey of N-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is MMCGGAZRKGPTIR-JVUMBYKBSA-N. The full InChI is InChI=1S/C24H27F3N6O/c1-2-32-8-7-15-9-16(11-29-22(15)32)23(34)30-17-4-5-20-14(10-17)3-6-21(31-20)33-12-18(19(28)13-33)24(25,26)27/h3,6-9,11,17-19H,2,4-5,10,12-13,28H2,1H3,(H,30,34)/t17-,18?,19-/m0/s1.
What are the key properties of N-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?
N-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-2-[(3R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 167224773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).