[4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone

C22H21N7O — CID 152569866

IUPAC[4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone
SMILESNc1cc2ncc(-c3cnccc3-c3ccc(C(=O)N4CCNCC4)cc3)cn2n1
InChIInChI=1S/C22H21N7O/c23-20-11-21-26-12-17(14-29(21)27-20)19-13-25-6-5-18(19)15-1-3-16(4-2-15)22(30)28-9-7-24-8-10-28/h1-6,11-14,24H,7-10H2,(H2,23,27)
InChIKeyYRGGQSWZWPLNFZ-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.09
Rot. Bonds3

About [4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone

[4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone (PubChem CID 152569866) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is [4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone
PubChem CID152569866
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name[4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone
SMILESNc1cc2ncc(-c3cnccc3-c3ccc(C(=O)N4CCNCC4)cc3)cn2n1
InChIInChI=1S/C22H21N7O/c23-20-11-21-26-12-17(14-29(21)27-20)19-13-25-6-5-18(19)15-1-3-16(4-2-15)22(30)28-9-7-24-8-10-28/h1-6,11-14,24H,7-10H2,(H2,23,27)
InChIKeyYRGGQSWZWPLNFZ-UHFFFAOYSA-N
XLogP2.09
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone (CID 152569866) is [4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone is Nc1cc2ncc(-c3cnccc3-c3ccc(C(=O)N4CCNCC4)cc3)cn2n1.
What is the InChIKey of [4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is YRGGQSWZWPLNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c23-20-11-21-26-12-17(14-29(21)27-20)19-13-25-6-5-18(19)15-1-3-16(4-2-15)22(30)28-9-7-24-8-10-28/h1-6,11-14,24H,7-10H2,(H2,23,27).
What are the key properties of [4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone?
[4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 399.46 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 152569866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).