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

C17H23ClN4O — CID 146343769

IUPAC(1-methylcyclopropyl)-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;hydrochloride
SMILESCC1(C(=O)c2c[nH]c3nccc(N[C@@H]4CCCNC4)c23)CC1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-17(5-6-17)15(22)12-10-20-16-14(12)13(4-8-19-16)21-11-3-2-7-18-9-11;/h4,8,10-11,18H,2-3,5-7,9H2,1H3,(H2,19,20,21);1H/t11-;/m1./s1
InChIKeyUIAPKQGTMLQZNL-RFVHGSKJSA-N
MW334.85 g/mol
LogP3.13
Rot. Bonds4

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

(1-methylcyclopropyl)-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;hydrochloride (PubChem CID 146343769) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is (1-methylcyclopropyl)-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-methylcyclopropyl)-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;hydrochloride
PubChem CID146343769
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name(1-methylcyclopropyl)-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;hydrochloride
SMILESCC1(C(=O)c2c[nH]c3nccc(N[C@@H]4CCCNC4)c23)CC1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-17(5-6-17)15(22)12-10-20-16-14(12)13(4-8-19-16)21-11-3-2-7-18-9-11;/h4,8,10-11,18H,2-3,5-7,9H2,1H3,(H2,19,20,21);1H/t11-;/m1./s1
InChIKeyUIAPKQGTMLQZNL-RFVHGSKJSA-N
XLogP3.13
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid
CID 146343855
3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride
CID 146343732
1-[3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 146343844
3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one
CID 146343733
2,3-dimethyl-N-piperidin-3-ylpyridin-4-amine
CID 83833082
cyclopropyl-[4-[[(3R)-piperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride
CID 146343881
cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride
CID 146343885
1-methyl-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 126972708
ethyl 4-[[(3R)-piperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 146361976
2-(piperidin-3-ylamino)benzamide
CID 63319381
N-methyl-4-(piperidin-3-ylamino)pyridine-2-carboxamide
CID 63319202
methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate
CID 83841971

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;hydrochloride?
The IUPAC name of (1-methylcyclopropyl)-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;hydrochloride (CID 146343769) is (1-methylcyclopropyl)-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;hydrochloride.
What is the SMILES notation for (1-methylcyclopropyl)-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;hydrochloride?
The canonical SMILES for (1-methylcyclopropyl)-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;hydrochloride is CC1(C(=O)c2c[nH]c3nccc(N[C@@H]4CCCNC4)c23)CC1.Cl.
What is the InChIKey of (1-methylcyclopropyl)-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;hydrochloride?
The InChIKey is UIAPKQGTMLQZNL-RFVHGSKJSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-17(5-6-17)15(22)12-10-20-16-14(12)13(4-8-19-16)21-11-3-2-7-18-9-11;/h4,8,10-11,18H,2-3,5-7,9H2,1H3,(H2,19,20,21);1H/t11-;/m1./s1.
What are the key properties of (1-methylcyclopropyl)-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;hydrochloride?
(1-methylcyclopropyl)-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 146343769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).