4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide

C21H29N7O2 — CID 136604553

IUPAC4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3C)c(=O)[nH]2)CC1
InChIInChI=1S/C21H29N7O2/c1-4-5-6-14-7-9-15(10-8-14)19(29)23-17-11-13(2)26-28(17)21-24-18-16(20(30)25-21)12-22-27(18)3/h11-12,14-15H,4-10H2,1-3H3,(H,23,29)(H,24,25,30)
InChIKeySVWTVNAJWZTFMV-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.09
Rot. Bonds6

About 4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide

4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide (PubChem CID 136604553) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide
PubChem CID136604553
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC Name4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3C)c(=O)[nH]2)CC1
InChIInChI=1S/C21H29N7O2/c1-4-5-6-14-7-9-15(10-8-14)19(29)23-17-11-13(2)26-28(17)21-24-18-16(20(30)25-21)12-22-27(18)3/h11-12,14-15H,4-10H2,1-3H3,(H,23,29)(H,24,25,30)
InChIKeySVWTVNAJWZTFMV-UHFFFAOYSA-N
XLogP3.09
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide
CID 136603875
3-chloro-2,2-dimethyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]propanamide
CID 136604558
2-(4-ethoxyphenoxy)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide
CID 136604608
2-chloro-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 136604575
N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 136604664
N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 136604594
N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]naphthalene-2-carboxamide
CID 136604596
4-ethoxy-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 136604567
N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 136630539
N-[2-[1-(2,4-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclohexanecarboxamide
CID 136630567
2-(4-fluorophenyl)sulfanyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide
CID 136604647
N-[2-[1-(2-methoxyphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 136630593

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide (CID 136604553) is 4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3C)c(=O)[nH]2)CC1.
What is the InChIKey of 4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide?
The InChIKey is SVWTVNAJWZTFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O2/c1-4-5-6-14-7-9-15(10-8-14)19(29)23-17-11-13(2)26-28(17)21-24-18-16(20(30)25-21)12-22-27(18)3/h11-12,14-15H,4-10H2,1-3H3,(H,23,29)(H,24,25,30).
What are the key properties of 4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide?
4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 136604553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).