N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide

C40H44F2N10O2 — CID 158624612

IUPACN-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
SMILESCc1cc(C2=NCc3cc(CC(=O)N[C@@H]4CN(C)C[C@H]4F)ncc32)ccn1.Cc1cc(C2=NCc3cc(CC(=O)N[C@H]4CN(C)C[C@@H]4F)ncc32)ccn1
InChIInChI=1S/2C20H22FN5O/c2*1-12-5-13(3-4-22-12)20-16-9-23-15(6-14(16)8-24-20)7-19(27)25-18-11-26(2)10-17(18)21/h2*3-6,9,17-18H,7-8,10-11H2,1-2H3,(H,25,27)/t2*17-,18-/m10/s1
InChIKeyHYKWAHGJNHYWRL-PTQCACIQSA-N
MW734.86 g/mol
LogP2.89
Rot. Bonds8

About N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide

N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide (PubChem CID 158624612) has the molecular formula C40H44F2N10O2 and a molecular weight of 734.86 g/mol. Its IUPAC name is N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
PubChem CID158624612
Molecular FormulaC40H44F2N10O2
Molecular Weight734.86 g/mol
Exact Mass734.36
IUPAC NameN-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
SMILESCc1cc(C2=NCc3cc(CC(=O)N[C@@H]4CN(C)C[C@H]4F)ncc32)ccn1.Cc1cc(C2=NCc3cc(CC(=O)N[C@H]4CN(C)C[C@@H]4F)ncc32)ccn1
InChIInChI=1S/2C20H22FN5O/c2*1-12-5-13(3-4-22-12)20-16-9-23-15(6-14(16)8-24-20)7-19(27)25-18-11-26(2)10-17(18)21/h2*3-6,9,17-18H,7-8,10-11H2,1-2H3,(H,25,27)/t2*17-,18-/m10/s1
InChIKeyHYKWAHGJNHYWRL-PTQCACIQSA-N
XLogP2.89
TPSA140.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500734.86
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide (CID 158624612) is N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide is Cc1cc(C2=NCc3cc(CC(=O)N[C@@H]4CN(C)C[C@H]4F)ncc32)ccn1.Cc1cc(C2=NCc3cc(CC(=O)N[C@H]4CN(C)C[C@@H]4F)ncc32)ccn1.
What is the InChIKey of N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The InChIKey is HYKWAHGJNHYWRL-PTQCACIQSA-N. The full InChI is InChI=1S/2C20H22FN5O/c2*1-12-5-13(3-4-22-12)20-16-9-23-15(6-14(16)8-24-20)7-19(27)25-18-11-26(2)10-17(18)21/h2*3-6,9,17-18H,7-8,10-11H2,1-2H3,(H,25,27)/t2*17-,18-/m10/s1.
What are the key properties of N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide has a molecular weight of 734.86 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide;N-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 158624612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).