(4-methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone

C15H25N5O — CID 97388964

IUPAC(4-methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
SMILESCC(C)N1CCc2[nH]nc(C(=O)N3CCN(C)CC3)c2C1
InChIInChI=1S/C15H25N5O/c1-11(2)20-5-4-13-12(10-20)14(17-16-13)15(21)19-8-6-18(3)7-9-19/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyZGMZIHIGQOPSFQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.56
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone

(4-methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone (PubChem CID 97388964) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
PubChem CID97388964
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(4-methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
SMILESCC(C)N1CCc2[nH]nc(C(=O)N3CCN(C)CC3)c2C1
InChIInChI=1S/C15H25N5O/c1-11(2)20-5-4-13-12(10-20)14(17-16-13)15(21)19-8-6-18(3)7-9-19/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyZGMZIHIGQOPSFQ-UHFFFAOYSA-N
XLogP0.56
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone (CID 97388964) is (4-methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone is CC(C)N1CCc2[nH]nc(C(=O)N3CCN(C)CC3)c2C1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone?
The InChIKey is ZGMZIHIGQOPSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11(2)20-5-4-13-12(10-20)14(17-16-13)15(21)19-8-6-18(3)7-9-19/h11H,4-10H2,1-3H3,(H,16,17).
What are the key properties of (4-methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone?
(4-methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone has a molecular weight of 291.40 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone is sourced from PubChem (CID 97388964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).