4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride

C13H17ClN4O2 — CID 138595405

IUPAC4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2[nH]ccc2c1N[C@@H]1CCCNC1
InChIInChI=1S/C13H16N4O2.ClH/c18-13(19)10-7-16-12-9(3-5-15-12)11(10)17-8-2-1-4-14-6-8;/h3,5,7-8,14H,1-2,4,6H2,(H,18,19)(H2,15,16,17);1H/t8-;/m1./s1
InChIKeyIUMWPKHATLCWTR-DDWIOCJRSA-N
MW296.76 g/mol
LogP1.85
Rot. Bonds3

About 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride

4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride (PubChem CID 138595405) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
PubChem CID138595405
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2[nH]ccc2c1N[C@@H]1CCCNC1
InChIInChI=1S/C13H16N4O2.ClH/c18-13(19)10-7-16-12-9(3-5-15-12)11(10)17-8-2-1-4-14-6-8;/h3,5,7-8,14H,1-2,4,6H2,(H,18,19)(H2,15,16,17);1H/t8-;/m1./s1
InChIKeyIUMWPKHATLCWTR-DDWIOCJRSA-N
XLogP1.85
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride with MolForge

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Related Compounds

4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 138595531
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67518186
ethyl 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;dihydrochloride
CID 163229869
2-methoxyethyl 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride
CID 158558177
5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 155253895
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616
4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278172
4-[[(1R,3R)-3-[tri(propan-2-yl)silyloxymethyl]cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 67278383
4-[[(1R,3R)-3-carbamoylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59291955
4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278426
4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59292043
4-[(1,1-dioxothian-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67277869

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride?
The IUPAC name of 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride (CID 138595405) is 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride?
The canonical SMILES for 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnc2[nH]ccc2c1N[C@@H]1CCCNC1.
What is the InChIKey of 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride?
The InChIKey is IUMWPKHATLCWTR-DDWIOCJRSA-N. The full InChI is InChI=1S/C13H16N4O2.ClH/c18-13(19)10-7-16-12-9(3-5-15-12)11(10)17-8-2-1-4-14-6-8;/h3,5,7-8,14H,1-2,4,6H2,(H,18,19)(H2,15,16,17);1H/t8-;/m1./s1.
What are the key properties of 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride?
4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride has a molecular weight of 296.76 g/mol, XLogP of 1.85, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 138595405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).