6-methyl-3-[2-(methylamino)-4-piperidin-1-ylphenyl]imino-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C23H30N6O — CID 91070583

IUPAC6-methyl-3-[2-(methylamino)-4-piperidin-1-ylphenyl]imino-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESC=c1[nH]n2c(=O)c(C)c(C(C)C)nc2/c1=N/c1ccc(N2CCCCC2)cc1NC
InChIInChI=1S/C23H30N6O/c1-14(2)20-15(3)23(30)29-22(26-20)21(16(4)27-29)25-18-10-9-17(13-19(18)24-5)28-11-7-6-8-12-28/h9-10,13-14,24,27H,4,6-8,11-12H2,1-3,5H3/b25-21+
InChIKeySFMYLVDYRGNVOA-NJNXFGOHSA-N
MW406.53 g/mol
LogP2.85
Rot. Bonds4

About 6-methyl-3-[2-(methylamino)-4-piperidin-1-ylphenyl]imino-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-methyl-3-[2-(methylamino)-4-piperidin-1-ylphenyl]imino-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 91070583) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 6-methyl-3-[2-(methylamino)-4-piperidin-1-ylphenyl]imino-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-methyl-3-[2-(methylamino)-4-piperidin-1-ylphenyl]imino-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID91070583
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name6-methyl-3-[2-(methylamino)-4-piperidin-1-ylphenyl]imino-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESC=c1[nH]n2c(=O)c(C)c(C(C)C)nc2/c1=N/c1ccc(N2CCCCC2)cc1NC
InChIInChI=1S/C23H30N6O/c1-14(2)20-15(3)23(30)29-22(26-20)21(16(4)27-29)25-18-10-9-17(13-19(18)24-5)28-11-7-6-8-12-28/h9-10,13-14,24,27H,4,6-8,11-12H2,1-3,5H3/b25-21+
InChIKeySFMYLVDYRGNVOA-NJNXFGOHSA-N
XLogP2.85
TPSA77.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(methylamino)-4-piperidin-1-ylphenyl]imino-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-methyl-3-[2-(methylamino)-4-piperidin-1-ylphenyl]imino-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 91070583) is 6-methyl-3-[2-(methylamino)-4-piperidin-1-ylphenyl]imino-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-methyl-3-[2-(methylamino)-4-piperidin-1-ylphenyl]imino-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-methyl-3-[2-(methylamino)-4-piperidin-1-ylphenyl]imino-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is C=c1[nH]n2c(=O)c(C)c(C(C)C)nc2/c1=N/c1ccc(N2CCCCC2)cc1NC.
What is the InChIKey of 6-methyl-3-[2-(methylamino)-4-piperidin-1-ylphenyl]imino-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SFMYLVDYRGNVOA-NJNXFGOHSA-N. The full InChI is InChI=1S/C23H30N6O/c1-14(2)20-15(3)23(30)29-22(26-20)21(16(4)27-29)25-18-10-9-17(13-19(18)24-5)28-11-7-6-8-12-28/h9-10,13-14,24,27H,4,6-8,11-12H2,1-3,5H3/b25-21+.
What are the key properties of 6-methyl-3-[2-(methylamino)-4-piperidin-1-ylphenyl]imino-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-methyl-3-[2-(methylamino)-4-piperidin-1-ylphenyl]imino-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 406.53 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(methylamino)-4-piperidin-1-ylphenyl]imino-2-methylidene-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 91070583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).