(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-3-phenylpropanamide

C23H22N4O2 — CID 165404644

IUPAC(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-3-phenylpropanamide
SMILESCOc1cc(NC(=O)[C@H](N)Cc2ccccc2)ccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C23H22N4O2/c1-29-21-14-16(27-23(28)20(24)13-15-5-3-2-4-6-15)7-8-18(21)17-9-11-25-22-19(17)10-12-26-22/h2-12,14,20H,13,24H2,1H3,(H,25,26)(H,27,28)/t20-/m1/s1
InChIKeyDNMYZOAQSTVFGZ-HXUWFJFHSA-N
MW386.46 g/mol
LogP3.75
Rot. Bonds6

About (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-3-phenylpropanamide

(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-3-phenylpropanamide (PubChem CID 165404644) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-3-phenylpropanamide
PubChem CID165404644
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-3-phenylpropanamide
SMILESCOc1cc(NC(=O)[C@H](N)Cc2ccccc2)ccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C23H22N4O2/c1-29-21-14-16(27-23(28)20(24)13-15-5-3-2-4-6-15)7-8-18(21)17-9-11-25-22-19(17)10-12-26-22/h2-12,14,20H,13,24H2,1H3,(H,25,26)(H,27,28)/t20-/m1/s1
InChIKeyDNMYZOAQSTVFGZ-HXUWFJFHSA-N
XLogP3.75
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-3-phenylpropanamide (CID 165404644) is (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-3-phenylpropanamide is COc1cc(NC(=O)[C@H](N)Cc2ccccc2)ccc1-c1ccnc2[nH]ccc12.
What is the InChIKey of (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-3-phenylpropanamide?
The InChIKey is DNMYZOAQSTVFGZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-29-21-14-16(27-23(28)20(24)13-15-5-3-2-4-6-15)7-8-18(21)17-9-11-25-22-19(17)10-12-26-22/h2-12,14,20H,13,24H2,1H3,(H,25,26)(H,27,28)/t20-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-3-phenylpropanamide?
(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-3-phenylpropanamide has a molecular weight of 386.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 165404644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).