(4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone

C18H25N5O — CID 162628135

IUPAC(4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C3CC3)CC2C)c2c(C)nn(C)c2n1
InChIInChI=1S/C18H25N5O/c1-11-9-15(16-13(3)20-21(4)17(16)19-11)18(24)23-8-7-22(10-12(23)2)14-5-6-14/h9,12,14H,5-8,10H2,1-4H3
InChIKeyJEZUYMSVVXVSGM-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.89
Rot. Bonds2

About (4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone

(4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone (PubChem CID 162628135) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
PubChem CID162628135
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C3CC3)CC2C)c2c(C)nn(C)c2n1
InChIInChI=1S/C18H25N5O/c1-11-9-15(16-13(3)20-21(4)17(16)19-11)18(24)23-8-7-22(10-12(23)2)14-5-6-14/h9,12,14H,5-8,10H2,1-4H3
InChIKeyJEZUYMSVVXVSGM-UHFFFAOYSA-N
XLogP1.89
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The IUPAC name of (4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone (CID 162628135) is (4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for (4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The canonical SMILES for (4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone is Cc1cc(C(=O)N2CCN(C3CC3)CC2C)c2c(C)nn(C)c2n1.
What is the InChIKey of (4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The InChIKey is JEZUYMSVVXVSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-11-9-15(16-13(3)20-21(4)17(16)19-11)18(24)23-8-7-22(10-12(23)2)14-5-6-14/h9,12,14H,5-8,10H2,1-4H3.
What are the key properties of (4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone?
(4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 162628135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).