2-[2-[4-[(propan-2-ylamino)methyl]phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C21H23N5O — CID 59722959

IUPAC2-[2-[4-[(propan-2-ylamino)methyl]phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)NCc1ccc(-c2cc(-c3cc4n(n3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C21H23N5O/c1-14(2)24-13-15-3-5-16(6-4-15)18-11-17(7-8-22-18)19-12-20-21(27)23-9-10-26(20)25-19/h3-8,11-12,14,24H,9-10,13H2,1-2H3,(H,23,27)
InChIKeyJNTWILUJLITQRV-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.85
Rot. Bonds5

About 2-[2-[4-[(propan-2-ylamino)methyl]phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-[4-[(propan-2-ylamino)methyl]phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59722959) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[2-[4-[(propan-2-ylamino)methyl]phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-[4-[(propan-2-ylamino)methyl]phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59722959
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-[2-[4-[(propan-2-ylamino)methyl]phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)NCc1ccc(-c2cc(-c3cc4n(n3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C21H23N5O/c1-14(2)24-13-15-3-5-16(6-4-15)18-11-17(7-8-22-18)19-12-20-21(27)23-9-10-26(20)25-19/h3-8,11-12,14,24H,9-10,13H2,1-2H3,(H,23,27)
InChIKeyJNTWILUJLITQRV-UHFFFAOYSA-N
XLogP2.85
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(propan-2-ylamino)methyl]phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-[4-[(propan-2-ylamino)methyl]phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59722959) is 2-[2-[4-[(propan-2-ylamino)methyl]phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-[4-[(propan-2-ylamino)methyl]phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-[4-[(propan-2-ylamino)methyl]phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is CC(C)NCc1ccc(-c2cc(-c3cc4n(n3)CCNC4=O)ccn2)cc1.
What is the InChIKey of 2-[2-[4-[(propan-2-ylamino)methyl]phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is JNTWILUJLITQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14(2)24-13-15-3-5-16(6-4-15)18-11-17(7-8-22-18)19-12-20-21(27)23-9-10-26(20)25-19/h3-8,11-12,14,24H,9-10,13H2,1-2H3,(H,23,27).
What are the key properties of 2-[2-[4-[(propan-2-ylamino)methyl]phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-[4-[(propan-2-ylamino)methyl]phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 361.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(propan-2-ylamino)methyl]phenyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59722959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).