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

C48H58N10O4 — CID 159292916

IUPACN-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide
SMILESCN1C[C@@H](NC(=O)Cc2cc3c(cn2)C(N2CCOCC2)=NC3)[C@H](c2ccccc2)C1.CN1C[C@H](NC(=O)Cc2cc3c(cn2)C(N2CCOCC2)=NC3)[C@@H](c2ccccc2)C1
InChIInChI=1S/2C24H29N5O2/c2*1-28-15-21(17-5-3-2-4-6-17)22(16-28)27-23(30)12-19-11-18-13-26-24(20(18)14-25-19)29-7-9-31-10-8-29/h2*2-6,11,14,21-22H,7-10,12-13,15-16H2,1H3,(H,27,30)/t2*21-,22+/m10/s1
InChIKeyLAIUDWSDOUMUDY-WJVAFOSCSA-N
MW839.06 g/mol
LogP2.86
Rot. Bonds8

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

N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide (PubChem CID 159292916) has the molecular formula C48H58N10O4 and a molecular weight of 839.06 g/mol. Its IUPAC name is N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide
PubChem CID159292916
Molecular FormulaC48H58N10O4
Molecular Weight839.06 g/mol
Exact Mass838.46
IUPAC NameN-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide
SMILESCN1C[C@@H](NC(=O)Cc2cc3c(cn2)C(N2CCOCC2)=NC3)[C@H](c2ccccc2)C1.CN1C[C@H](NC(=O)Cc2cc3c(cn2)C(N2CCOCC2)=NC3)[C@@H](c2ccccc2)C1
InChIInChI=1S/2C24H29N5O2/c2*1-28-15-21(17-5-3-2-4-6-17)22(16-28)27-23(30)12-19-11-18-13-26-24(20(18)14-25-19)29-7-9-31-10-8-29/h2*2-6,11,14,21-22H,7-10,12-13,15-16H2,1H3,(H,27,30)/t2*21-,22+/m10/s1
InChIKeyLAIUDWSDOUMUDY-WJVAFOSCSA-N
XLogP2.86
TPSA140.12 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.06
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-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,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide?
The IUPAC name of N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide (CID 159292916) is N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide is CN1C[C@@H](NC(=O)Cc2cc3c(cn2)C(N2CCOCC2)=NC3)[C@H](c2ccccc2)C1.CN1C[C@H](NC(=O)Cc2cc3c(cn2)C(N2CCOCC2)=NC3)[C@@H](c2ccccc2)C1.
What is the InChIKey of N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide?
The InChIKey is LAIUDWSDOUMUDY-WJVAFOSCSA-N. The full InChI is InChI=1S/2C24H29N5O2/c2*1-28-15-21(17-5-3-2-4-6-17)22(16-28)27-23(30)12-19-11-18-13-26-24(20(18)14-25-19)29-7-9-31-10-8-29/h2*2-6,11,14,21-22H,7-10,12-13,15-16H2,1H3,(H,27,30)/t2*21-,22+/m10/s1.
What are the key properties of N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide?
N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide has a molecular weight of 839.06 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide;N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(3-morpholin-4-yl-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide is sourced from PubChem (CID 159292916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).