3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C21H23N5O2 — CID 137018459

IUPAC3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C21H23N5O2/c1-13-19(21(28)25-11-15-4-2-3-5-16(15)12-25)20-23-18(27)10-17(26(20)24-13)14-6-8-22-9-7-14/h2-5,10,14,22H,6-9,11-12H2,1H3,(H,23,27)
InChIKeyMMHGGGODTAMYDP-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.95
Rot. Bonds2

About 3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018459) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018459
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C21H23N5O2/c1-13-19(21(28)25-11-15-4-2-3-5-16(15)12-25)20-23-18(27)10-17(26(20)24-13)14-6-8-22-9-7-14/h2-5,10,14,22H,6-9,11-12H2,1H3,(H,23,27)
InChIKeyMMHGGGODTAMYDP-UHFFFAOYSA-N
XLogP1.95
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018459) is 3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N1Cc2ccccc2C1.
What is the InChIKey of 3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is MMHGGGODTAMYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-19(21(28)25-11-15-4-2-3-5-16(15)12-25)20-23-18(27)10-17(26(20)24-13)14-6-8-22-9-7-14/h2-5,10,14,22H,6-9,11-12H2,1H3,(H,23,27).
What are the key properties of 3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 377.45 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).