3H-pyrrolo[3,2-b]pyridine;urea

C8H10N4O — CID 160799180

IUPAC3H-pyrrolo[3,2-b]pyridine;urea
SMILESC1=Nc2cccnc2C1.NC(N)=O
InChIInChI=1S/C7H6N2.CH4N2O/c1-2-6-7(8-4-1)3-5-9-6;2-1(3)4/h1-2,4-5H,3H2;(H4,2,3,4)
InChIKeySCVJOBQRHDKUFT-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.36
Rot. Bonds

About 3H-pyrrolo[3,2-b]pyridine;urea

3H-pyrrolo[3,2-b]pyridine;urea (PubChem CID 160799180) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 3H-pyrrolo[3,2-b]pyridine;urea.

Molecular Properties

Compound Name3H-pyrrolo[3,2-b]pyridine;urea
PubChem CID160799180
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name3H-pyrrolo[3,2-b]pyridine;urea
SMILESC1=Nc2cccnc2C1.NC(N)=O
InChIInChI=1S/C7H6N2.CH4N2O/c1-2-6-7(8-4-1)3-5-9-6;2-1(3)4/h1-2,4-5H,3H2;(H4,2,3,4)
InChIKeySCVJOBQRHDKUFT-UHFFFAOYSA-N
XLogP0.36
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 140922627
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-2-fluoroacetamide
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(4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
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2-azabicyclo[4.1.0]hepta-1(6),2,4-triene;formic acid
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11H-pyrido[3,2-c][2]benzazepine
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1,2,3,4-tetrahydro-1,5-naphthyridine-4-carboxamide
CID 70286251
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CID 140521688
CID 140521688

Frequently Asked Questions

What is the IUPAC name of 3H-pyrrolo[3,2-b]pyridine;urea?
The IUPAC name of 3H-pyrrolo[3,2-b]pyridine;urea (CID 160799180) is 3H-pyrrolo[3,2-b]pyridine;urea.
What is the SMILES notation for 3H-pyrrolo[3,2-b]pyridine;urea?
The canonical SMILES for 3H-pyrrolo[3,2-b]pyridine;urea is C1=Nc2cccnc2C1.NC(N)=O.
What is the InChIKey of 3H-pyrrolo[3,2-b]pyridine;urea?
The InChIKey is SCVJOBQRHDKUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.CH4N2O/c1-2-6-7(8-4-1)3-5-9-6;2-1(3)4/h1-2,4-5H,3H2;(H4,2,3,4).
What are the key properties of 3H-pyrrolo[3,2-b]pyridine;urea?
3H-pyrrolo[3,2-b]pyridine;urea has a molecular weight of 178.19 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrolo[3,2-b]pyridine;urea is sourced from PubChem (CID 160799180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).