2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide

C22H26N4O2 — CID 160908806

IUPAC2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
SMILESCCNC1=NCc2cc(CC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)ncc21
InChIInChI=1S/C22H26N4O2/c1-2-23-22-18-14-24-17(11-16(18)13-25-22)12-20(27)26-21(19-9-6-10-28-19)15-7-4-3-5-8-15/h3-5,7-8,11,14,19,21H,2,6,9-10,12-13H2,1H3,(H,23,25)(H,26,27)/t19-,21+/m0/s1
InChIKeySQMPZCPDAFASLB-PZJWPPBQSA-N
MW378.48 g/mol
LogP2.53
Rot. Bonds6

About 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide

2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide (PubChem CID 160908806) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
PubChem CID160908806
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
SMILESCCNC1=NCc2cc(CC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)ncc21
InChIInChI=1S/C22H26N4O2/c1-2-23-22-18-14-24-17(11-16(18)13-25-22)12-20(27)26-21(19-9-6-10-28-19)15-7-4-3-5-8-15/h3-5,7-8,11,14,19,21H,2,6,9-10,12-13H2,1H3,(H,23,25)(H,26,27)/t19-,21+/m0/s1
InChIKeySQMPZCPDAFASLB-PZJWPPBQSA-N
XLogP2.53
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methoxy-4-phenylpentan-2-one
CID 160718753
2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124625518
2-(methylamino)-N-[oxolan-2-yl(phenyl)methyl]acetamide
CID 119757394
4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 120561583
N-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 157201911
3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide
CID 124625525
4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide
CID 129397487
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 158888196
2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide
CID 94639876
2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 119308398
(4S)-5-methoxy-1-[3-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one
CID 162027089
2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124606330

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide?
The IUPAC name of 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide (CID 160908806) is 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide.
What is the SMILES notation for 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide?
The canonical SMILES for 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide is CCNC1=NCc2cc(CC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)ncc21.
What is the InChIKey of 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide?
The InChIKey is SQMPZCPDAFASLB-PZJWPPBQSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-23-22-18-14-24-17(11-16(18)13-25-22)12-20(27)26-21(19-9-6-10-28-19)15-7-4-3-5-8-15/h3-5,7-8,11,14,19,21H,2,6,9-10,12-13H2,1H3,(H,23,25)(H,26,27)/t19-,21+/m0/s1.
What are the key properties of 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide?
2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide is sourced from PubChem (CID 160908806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).