(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine

C13H17N3 — CID 174571126

IUPAC(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine
SMILES[H]/N=C(\C)[C@H](CC)Cc1c[nH]c2ncccc12
InChIInChI=1S/C13H17N3/c1-3-10(9(2)14)7-11-8-16-13-12(11)5-4-6-15-13/h4-6,8,10,14H,3,7H2,1-2H3,(H,15,16)/b14-9+/t10-/m1/s1
InChIKeyCPDRPIJAIGWEQU-GMROUXNLSA-N
MW215.30 g/mol
LogP3.17
Rot. Bonds4

About (3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine

(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine (PubChem CID 174571126) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is (3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine.

Molecular Properties

Compound Name(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine
PubChem CID174571126
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine
SMILES[H]/N=C(\C)[C@H](CC)Cc1c[nH]c2ncccc12
InChIInChI=1S/C13H17N3/c1-3-10(9(2)14)7-11-8-16-13-12(11)5-4-6-15-13/h4-6,8,10,14H,3,7H2,1-2H3,(H,15,16)/b14-9+/t10-/m1/s1
InChIKeyCPDRPIJAIGWEQU-GMROUXNLSA-N
XLogP3.17
TPSA52.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 66932650
(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 135394624
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
(2S)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)butan-1-ol
CID 104980429
methyl (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 90752337
2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile
CID 174302210
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pent-4-yn-2-ol
CID 175979529
3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 142204589
ethyl (2R)-2-nitro-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 98119872
propan-2-yl (2R)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 135396257
CID 89301473
CID 89301473
N-ethyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 141065993

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine?
The IUPAC name of (3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine (CID 174571126) is (3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine.
What is the SMILES notation for (3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine?
The canonical SMILES for (3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine is [H]/N=C(\C)[C@H](CC)Cc1c[nH]c2ncccc12.
What is the InChIKey of (3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine?
The InChIKey is CPDRPIJAIGWEQU-GMROUXNLSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-10(9(2)14)7-11-8-16-13-12(11)5-4-6-15-13/h4-6,8,10,14H,3,7H2,1-2H3,(H,15,16)/b14-9+/t10-/m1/s1.
What are the key properties of (3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine?
(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine has a molecular weight of 215.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine is sourced from PubChem (CID 174571126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).