N-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide

C23H24F3N5O3 — CID 170631379

IUPACN-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESCC(=O)N1C[C@@H](NC(=O)c2cc3c(ccn3-c3ccc(C(F)(F)F)cn3)cn2)[C@H](OC(C)C)C1
InChIInChI=1S/C23H24F3N5O3/c1-13(2)34-20-12-30(14(3)32)11-18(20)29-22(33)17-8-19-15(9-27-17)6-7-31(19)21-5-4-16(10-28-21)23(24,25)26/h4-10,13,18,20H,11-12H2,1-3H3,(H,29,33)/t18-,20-/m1/s1
InChIKeyQMJSIKPRIKOZTD-UYAOXDASSA-N
MW475.47 g/mol
LogP3.19
Rot. Bonds5

About N-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide

N-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide (PubChem CID 170631379) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is N-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide
PubChem CID170631379
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC NameN-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESCC(=O)N1C[C@@H](NC(=O)c2cc3c(ccn3-c3ccc(C(F)(F)F)cn3)cn2)[C@H](OC(C)C)C1
InChIInChI=1S/C23H24F3N5O3/c1-13(2)34-20-12-30(14(3)32)11-18(20)29-22(33)17-8-19-15(9-27-17)6-7-31(19)21-5-4-16(10-28-21)23(24,25)26/h4-10,13,18,20H,11-12H2,1-3H3,(H,29,33)/t18-,20-/m1/s1
InChIKeyQMJSIKPRIKOZTD-UYAOXDASSA-N
XLogP3.19
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[(3R,4R)-1-(2-hydroxy-2-methylpropyl)-4-(2-methoxyethoxy)pyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide
CID 170631369
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-[(3R,4R)-4-(2-hydroxy-2-methylpropoxy)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]pyrrolo[3,2-c]pyridine-6-carboxamide
CID 170631318
1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide
CID 171993697
2-[1-[5-(trifluoromethyl)-2-pyridinyl]indol-5-yl]prop-2-enamide
CID 175388443
N-(3-hydroxycyclobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909152
N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909182
N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737184
N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103860508
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63721228
(2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 99824974
propan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole
CID 157032809
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide (CID 170631379) is N-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide is CC(=O)N1C[C@@H](NC(=O)c2cc3c(ccn3-c3ccc(C(F)(F)F)cn3)cn2)[C@H](OC(C)C)C1.
What is the InChIKey of N-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The InChIKey is QMJSIKPRIKOZTD-UYAOXDASSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-13(2)34-20-12-30(14(3)32)11-18(20)29-22(33)17-8-19-15(9-27-17)6-7-31(19)21-5-4-16(10-28-21)23(24,25)26/h4-10,13,18,20H,11-12H2,1-3H3,(H,29,33)/t18-,20-/m1/s1.
What are the key properties of N-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
N-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide has a molecular weight of 475.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-acetyl-4-propan-2-yloxypyrrolidin-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 170631379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).