[(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone

C17H17ClN4O2 — CID 95719033

IUPAC[(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC[C@H](Nc2cc(Cl)c3cc[nH]c3n2)C1
InChIInChI=1S/C17H17ClN4O2/c18-13-9-15(21-16-12(13)5-6-19-16)20-11-3-1-7-22(10-11)17(23)14-4-2-8-24-14/h2,4-6,8-9,11H,1,3,7,10H2,(H2,19,20,21)/t11-/m0/s1
InChIKeyQPOMMOVAPAYYHJ-NSHDSACASA-N
MW344.80 g/mol
LogP3.53
Rot. Bonds3

About [(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone

[(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 95719033) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is [(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID95719033
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name[(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC[C@H](Nc2cc(Cl)c3cc[nH]c3n2)C1
InChIInChI=1S/C17H17ClN4O2/c18-13-9-15(21-16-12(13)5-6-19-16)20-11-3-1-7-22(10-11)17(23)14-4-2-8-24-14/h2,4-6,8-9,11H,1,3,7,10H2,(H2,19,20,21)/t11-/m0/s1
InChIKeyQPOMMOVAPAYYHJ-NSHDSACASA-N
XLogP3.53
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 50962643
[(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 95119604
[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 134697643
furan-2-yl-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 74239566
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131927041
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
(3R)-3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylic acid
CID 175145149
3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylic acid
CID 175145150
[3-[(4-chloro-1-methylindazol-3-yl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone
CID 131906491
5-cyclopropyl-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95221445

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone (CID 95719033) is [(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC[C@H](Nc2cc(Cl)c3cc[nH]c3n2)C1.
What is the InChIKey of [(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is QPOMMOVAPAYYHJ-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-13-9-15(21-16-12(13)5-6-19-16)20-11-3-1-7-22(10-11)17(23)14-4-2-8-24-14/h2,4-6,8-9,11H,1,3,7,10H2,(H2,19,20,21)/t11-/m0/s1.
What are the key properties of [(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
[(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 344.80 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 95719033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).