(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone

C17H22N6O — CID 118772935

IUPAC(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
SMILESCN1CCc2[nH]nc(C(=O)N3CCC(c4ccncn4)CC3)c2C1
InChIInChI=1S/C17H22N6O/c1-22-7-5-15-13(10-22)16(21-20-15)17(24)23-8-3-12(4-9-23)14-2-6-18-11-19-14/h2,6,11-12H,3-5,7-10H2,1H3,(H,20,21)
InChIKeyGMVKPQQTDVKDSK-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.21
Rot. Bonds2

About (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone

(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone (PubChem CID 118772935) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
PubChem CID118772935
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
SMILESCN1CCc2[nH]nc(C(=O)N3CCC(c4ccncn4)CC3)c2C1
InChIInChI=1S/C17H22N6O/c1-22-7-5-15-13(10-22)16(21-20-15)17(24)23-8-3-12(4-9-23)14-2-6-18-11-19-14/h2,6,11-12H,3-5,7-10H2,1H3,(H,20,21)
InChIKeyGMVKPQQTDVKDSK-UHFFFAOYSA-N
XLogP1.21
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone (CID 118772935) is (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone is CN1CCc2[nH]nc(C(=O)N3CCC(c4ccncn4)CC3)c2C1.
What is the InChIKey of (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone?
The InChIKey is GMVKPQQTDVKDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-22-7-5-15-13(10-22)16(21-20-15)17(24)23-8-3-12(4-9-23)14-2-6-18-11-19-14/h2,6,11-12H,3-5,7-10H2,1H3,(H,20,21).
What are the key properties of (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone?
(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 118772935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).