3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol

C14H19N3O — CID 141284210

IUPAC3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol
SMILESOCCC(NCc1c[nH]c2ncccc12)C1CC1
InChIInChI=1S/C14H19N3O/c18-7-5-13(10-3-4-10)16-8-11-9-17-14-12(11)2-1-6-15-14/h1-2,6,9-10,13,16,18H,3-5,7-8H2,(H,15,17)
InChIKeyHJAVPFRFTLHXTM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.81
Rot. Bonds6

About 3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol

3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol (PubChem CID 141284210) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol
PubChem CID141284210
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol
SMILESOCCC(NCc1c[nH]c2ncccc12)C1CC1
InChIInChI=1S/C14H19N3O/c18-7-5-13(10-3-4-10)16-8-11-9-17-14-12(11)2-1-6-15-14/h1-2,6,9-10,13,16,18H,3-5,7-8H2,(H,15,17)
InChIKeyHJAVPFRFTLHXTM-UHFFFAOYSA-N
XLogP1.81
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)butan-1-ol
CID 104980429
(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol
CID 107862127
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66415655
3-cyclopropyl-3-(pyridin-4-ylmethylamino)propan-1-ol
CID 111457420
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol
CID 66414856
(1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81356963
(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 135394624
2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 66932650
2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine
CID 66415076
3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 111457432

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol?
The IUPAC name of 3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol (CID 141284210) is 3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol?
The canonical SMILES for 3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol is OCCC(NCc1c[nH]c2ncccc12)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol?
The InChIKey is HJAVPFRFTLHXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-7-5-13(10-3-4-10)16-8-11-9-17-14-12(11)2-1-6-15-14/h1-2,6,9-10,13,16,18H,3-5,7-8H2,(H,15,17).
What are the key properties of 3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol?
3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-1-ol is sourced from PubChem (CID 141284210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).