(3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone

C16H19N5O2 — CID 154795935

IUPAC(3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CNCC2)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C16H19N5O2/c22-16(15-13-9-18-6-3-14(13)19-20-15)21-7-4-12(10-21)23-11-2-1-5-17-8-11/h1-2,5,8,12,18H,3-4,6-7,9-10H2,(H,19,20)
InChIKeyQGOFHRSIZSYKFY-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.74
Rot. Bonds3

About (3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone

(3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone (PubChem CID 154795935) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone
PubChem CID154795935
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CNCC2)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C16H19N5O2/c22-16(15-13-9-18-6-3-14(13)19-20-15)21-7-4-12(10-21)23-11-2-1-5-17-8-11/h1-2,5,8,12,18H,3-4,6-7,9-10H2,(H,19,20)
InChIKeyQGOFHRSIZSYKFY-UHFFFAOYSA-N
XLogP0.74
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540
(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 124593054
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 119100397
(2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 99852524
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 126792647
(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 90649725
4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
CID 77094306
(3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97227478
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078501

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone?
The IUPAC name of (3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone (CID 154795935) is (3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone.
What is the SMILES notation for (3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone?
The canonical SMILES for (3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone is O=C(c1n[nH]c2c1CNCC2)N1CCC(Oc2cccnc2)C1.
What is the InChIKey of (3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone?
The InChIKey is QGOFHRSIZSYKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-16(15-13-9-18-6-3-14(13)19-20-15)21-7-4-12(10-21)23-11-2-1-5-17-8-11/h1-2,5,8,12,18H,3-4,6-7,9-10H2,(H,19,20).
What are the key properties of (3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone?
(3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone has a molecular weight of 313.36 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-yloxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone is sourced from PubChem (CID 154795935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).