[6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone

C21H20N8O — CID 11675716

IUPAC[6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone
SMILESNc1nn2cc(-c3ccc(C(=O)N4CCNCC4)cn3)cnc2c1-c1ccccn1
InChIInChI=1S/C21H20N8O/c22-19-18(17-3-1-2-6-24-17)20-26-12-15(13-29(20)27-19)16-5-4-14(11-25-16)21(30)28-9-7-23-8-10-28/h1-6,11-13,23H,7-10H2,(H2,22,27)
InChIKeyQZCFEEDRTVNWOV-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.48
Rot. Bonds3

About [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone

[6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 11675716) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone
PubChem CID11675716
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name[6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone
SMILESNc1nn2cc(-c3ccc(C(=O)N4CCNCC4)cn3)cnc2c1-c1ccccn1
InChIInChI=1S/C21H20N8O/c22-19-18(17-3-1-2-6-24-17)20-26-12-15(13-29(20)27-19)16-5-4-14(11-25-16)21(30)28-9-7-23-8-10-28/h1-6,11-13,23H,7-10H2,(H2,22,27)
InChIKeyQZCFEEDRTVNWOV-UHFFFAOYSA-N
XLogP1.48
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone with MolForge

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Related Compounds

[6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-(2-hydroxypyrrolidin-1-yl)methanone
CID 71011104
6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid
CID 11638527
(4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone
CID 110681807
[4-[5-[2-(tert-butylamino)-6-pyridin-2-yl-4-pyridinyl]-3-pyridinyl]phenyl]-piperazin-1-ylmethanone
CID 68762609
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
[4-[3-(2-aminopyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]phenyl]-piperazin-1-ylmethanone
CID 152569866
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde
CID 110683635
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
[4-[2-(aminomethyl)-3-pyridinyl]phenyl]-piperazin-1-ylmethanone
CID 54024487
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
[6-(3-ethyl-4-hydroxyphenyl)-3-pyridinyl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 167870764

Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone (CID 11675716) is [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone is Nc1nn2cc(-c3ccc(C(=O)N4CCNCC4)cn3)cnc2c1-c1ccccn1.
What is the InChIKey of [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is QZCFEEDRTVNWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c22-19-18(17-3-1-2-6-24-17)20-26-12-15(13-29(20)27-19)16-5-4-14(11-25-16)21(30)28-9-7-23-8-10-28/h1-6,11-13,23H,7-10H2,(H2,22,27).
What are the key properties of [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone?
[6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 400.45 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 11675716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).