3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride

C16H23ClN4O2 — CID 146343732

IUPAC3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride
SMILESCOCCC(=O)c1c[nH]c2nccc(N[C@@H]3CCCNC3)c12.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-22-8-5-14(21)12-10-19-16-15(12)13(4-7-18-16)20-11-3-2-6-17-9-11;/h4,7,10-11,17H,2-3,5-6,8-9H2,1H3,(H2,18,19,20);1H/t11-;/m1./s1
InChIKeyGTVUNUXNNCXDQO-RFVHGSKJSA-N
MW338.84 g/mol
LogP2.37
Rot. Bonds6

About 3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride

3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride (PubChem CID 146343732) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride
PubChem CID146343732
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride
SMILESCOCCC(=O)c1c[nH]c2nccc(N[C@@H]3CCCNC3)c12.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-22-8-5-14(21)12-10-19-16-15(12)13(4-7-18-16)20-11-3-2-6-17-9-11;/h4,7,10-11,17H,2-3,5-6,8-9H2,1H3,(H2,18,19,20);1H/t11-;/m1./s1
InChIKeyGTVUNUXNNCXDQO-RFVHGSKJSA-N
XLogP2.37
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one
CID 146343733
(1-methylcyclopropyl)-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;hydrochloride
CID 146343769
ethyl 4-[[(3R)-piperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 146361976
2-methoxyethyl 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride
CID 158558177
2,3-dimethyl-N-piperidin-3-ylpyridin-4-amine
CID 83833082
cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride
CID 146343885
cyclopropyl-[4-[[(3R)-piperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride
CID 146343881
N-methyl-4-(piperidin-3-ylamino)pyridine-2-carboxamide
CID 63319202
methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate
CID 83841971
1-[3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 146343844
methyl 6-(piperidin-3-ylamino)pyridine-2-carboxylate
CID 83841956
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119726878

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride (CID 146343732) is 3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride is COCCC(=O)c1c[nH]c2nccc(N[C@@H]3CCCNC3)c12.Cl.
What is the InChIKey of 3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride?
The InChIKey is GTVUNUXNNCXDQO-RFVHGSKJSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-22-8-5-14(21)12-10-19-16-15(12)13(4-7-18-16)20-11-3-2-6-17-9-11;/h4,7,10-11,17H,2-3,5-6,8-9H2,1H3,(H2,18,19,20);1H/t11-;/m1./s1.
What are the key properties of 3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride?
3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 146343732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).