[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone

C16H24N4O2 — CID 97461854

IUPAC[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1n[nH]c2c1CN(C1CCOCC1)CC2)N1CCCC1
InChIInChI=1S/C16H24N4O2/c21-16(19-6-1-2-7-19)15-13-11-20(8-3-14(13)17-18-15)12-4-9-22-10-5-12/h12H,1-11H2,(H,17,18)
InChIKeyMICDMVOTUGBHPT-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.18
Rot. Bonds2

About [5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone

[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97461854) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID97461854
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1n[nH]c2c1CN(C1CCOCC1)CC2)N1CCCC1
InChIInChI=1S/C16H24N4O2/c21-16(19-6-1-2-7-19)15-13-11-20(8-3-14(13)17-18-15)12-4-9-22-10-5-12/h12H,1-11H2,(H,17,18)
InChIKeyMICDMVOTUGBHPT-UHFFFAOYSA-N
XLogP1.18
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone (CID 97461854) is [5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1n[nH]c2c1CN(C1CCOCC1)CC2)N1CCCC1.
What is the InChIKey of [5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MICDMVOTUGBHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-16(19-6-1-2-7-19)15-13-11-20(8-3-14(13)17-18-15)12-4-9-22-10-5-12/h12H,1-11H2,(H,17,18).
What are the key properties of [5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97461854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).