3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine

C10H13N3 — CID 59024057

IUPAC3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCC(C)c1c[nH]c2ncc(N)cc12
InChIInChI=1S/C10H13N3/c1-6(2)9-5-13-10-8(9)3-7(11)4-12-10/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyMPIHPPFVBMSLMY-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.27
Rot. Bonds1

About 3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine

3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 59024057) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine
PubChem CID59024057
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCC(C)c1c[nH]c2ncc(N)cc12
InChIInChI=1S/C10H13N3/c1-6(2)9-5-13-10-8(9)3-7(11)4-12-10/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyMPIHPPFVBMSLMY-UHFFFAOYSA-N
XLogP2.27
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 71042049
3-propan-2-yl-1H-indol-5-amine
CID 90162786
3-(3,4-dihydropyrazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride
CID 141421934
5-bromo-3-butan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 139023960
methane;6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine;5-methyl-7-propan-2-ylpyrrolo[3,2-d]pyrimidin-2-amine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 159099345
3-propan-2-yl-1H-indol-6-amine
CID 45117013
1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine
CID 172576249
5-ethyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 135080316
(E)-3-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenylprop-2-enamide
CID 18400956
4,5-di(propan-2-yl)benzene-1,2-diamine
CID 122607621
3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 118254316
(3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 68668956

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of 3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 59024057) is 3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for 3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for 3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine is CC(C)c1c[nH]c2ncc(N)cc12.
What is the InChIKey of 3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is MPIHPPFVBMSLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-6(2)9-5-13-10-8(9)3-7(11)4-12-10/h3-6H,11H2,1-2H3,(H,12,13).
What are the key properties of 3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine?
3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 175.23 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 59024057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).