[1-[1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C22H30N6O2 — CID 56880343

IUPAC[1-[1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2ncccn2n1)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C22H30N6O2/c29-21(25-9-1-2-10-25)17-5-3-11-27(16-17)18-6-13-26(14-7-18)22(30)19-15-20-23-8-4-12-28(20)24-19/h4,8,12,15,17-18H,1-3,5-7,9-11,13-14,16H2
InChIKeyQWZHTZAPLCMBHM-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.67
Rot. Bonds3

About [1-[1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-[1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56880343) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is [1-[1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID56880343
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name[1-[1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2ncccn2n1)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C22H30N6O2/c29-21(25-9-1-2-10-25)17-5-3-11-27(16-17)18-6-13-26(14-7-18)22(30)19-15-20-23-8-4-12-28(20)24-19/h4,8,12,15,17-18H,1-3,5-7,9-11,13-14,16H2
InChIKeyQWZHTZAPLCMBHM-UHFFFAOYSA-N
XLogP1.67
TPSA74.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 56880343) is [1-[1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc2ncccn2n1)N1CCC(N2CCCC(C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of [1-[1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QWZHTZAPLCMBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c29-21(25-9-1-2-10-25)17-5-3-11-27(16-17)18-6-13-26(14-7-18)22(30)19-15-20-23-8-4-12-28(20)24-19/h4,8,12,15,17-18H,1-3,5-7,9-11,13-14,16H2.
What are the key properties of [1-[1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 410.52 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56880343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).