3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C26H31N5O2 — CID 118408188

IUPAC3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)c1ccc(COC2CCN(c3c(-c4ccncc4)nn4c3C(=O)NCC4)CC2)cc1
InChIInChI=1S/C26H31N5O2/c1-18(2)20-5-3-19(4-6-20)17-33-22-9-14-30(15-10-22)24-23(21-7-11-27-12-8-21)29-31-16-13-28-26(32)25(24)31/h3-8,11-12,18,22H,9-10,13-17H2,1-2H3,(H,28,32)
InChIKeyGRVAYSKXUMSCAK-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.00
Rot. Bonds6

About 3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118408188) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID118408188
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)c1ccc(COC2CCN(c3c(-c4ccncc4)nn4c3C(=O)NCC4)CC2)cc1
InChIInChI=1S/C26H31N5O2/c1-18(2)20-5-3-19(4-6-20)17-33-22-9-14-30(15-10-22)24-23(21-7-11-27-12-8-21)29-31-16-13-28-26(32)25(24)31/h3-8,11-12,18,22H,9-10,13-17H2,1-2H3,(H,28,32)
InChIKeyGRVAYSKXUMSCAK-UHFFFAOYSA-N
XLogP4.00
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 118408188) is 3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is CC(C)c1ccc(COC2CCN(c3c(-c4ccncc4)nn4c3C(=O)NCC4)CC2)cc1.
What is the InChIKey of 3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is GRVAYSKXUMSCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-18(2)20-5-3-19(4-6-20)17-33-22-9-14-30(15-10-22)24-23(21-7-11-27-12-8-21)29-31-16-13-28-26(32)25(24)31/h3-8,11-12,18,22H,9-10,13-17H2,1-2H3,(H,28,32).
What are the key properties of 3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 445.57 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118408188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).