(2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide

C26H32N4O2 — CID 118313130

IUPAC(2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCCc1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2c1ccn2Cc1ccccc1
InChIInChI=1S/C26H32N4O2/c1-3-22-21-11-13-29(17-19-7-5-4-6-8-19)24(21)15-23(28-22)18(2)30(20-9-10-20)26(31)25-16-27-12-14-32-25/h4-8,11,13,15,18,20,25,27H,3,9-10,12,14,16-17H2,1-2H3/t18-,25-/m1/s1
InChIKeySJZCGBACDYQHOX-IQGLISFBSA-N
MW432.57 g/mol
LogP3.69
Rot. Bonds7

About (2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide

(2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide (PubChem CID 118313130) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide
PubChem CID118313130
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name(2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCCc1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2c1ccn2Cc1ccccc1
InChIInChI=1S/C26H32N4O2/c1-3-22-21-11-13-29(17-19-7-5-4-6-8-19)24(21)15-23(28-22)18(2)30(20-9-10-20)26(31)25-16-27-12-14-32-25/h4-8,11,13,15,18,20,25,27H,3,9-10,12,14,16-17H2,1-2H3/t18-,25-/m1/s1
InChIKeySJZCGBACDYQHOX-IQGLISFBSA-N
XLogP3.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide (CID 118313130) is (2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide is CCc1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2c1ccn2Cc1ccccc1.
What is the InChIKey of (2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The InChIKey is SJZCGBACDYQHOX-IQGLISFBSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-3-22-21-11-13-29(17-19-7-5-4-6-8-19)24(21)15-23(28-22)18(2)30(20-9-10-20)26(31)25-16-27-12-14-32-25/h4-8,11,13,15,18,20,25,27H,3,9-10,12,14,16-17H2,1-2H3/t18-,25-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide?
(2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide is sourced from PubChem (CID 118313130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).