1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide

C19H23N7O — CID 167812213

IUPAC1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide
SMILESCn1ncc2c(NCc3ccccc3N3CCCC(C(N)=O)C3)ncnc21
InChIInChI=1S/C19H23N7O/c1-25-19-15(10-24-25)18(22-12-23-19)21-9-13-5-2-3-7-16(13)26-8-4-6-14(11-26)17(20)27/h2-3,5,7,10,12,14H,4,6,8-9,11H2,1H3,(H2,20,27)(H,21,22,23)
InChIKeyANUFDLOSUNHXCV-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.68
Rot. Bonds5

About 1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide

1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide (PubChem CID 167812213) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide
PubChem CID167812213
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide
SMILESCn1ncc2c(NCc3ccccc3N3CCCC(C(N)=O)C3)ncnc21
InChIInChI=1S/C19H23N7O/c1-25-19-15(10-24-25)18(22-12-23-19)21-9-13-5-2-3-7-16(13)26-8-4-6-14(11-26)17(20)27/h2-3,5,7,10,12,14H,4,6,8-9,11H2,1H3,(H2,20,27)(H,21,22,23)
InChIKeyANUFDLOSUNHXCV-UHFFFAOYSA-N
XLogP1.68
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 97220549
1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide
CID 43280219
1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 86779320
1-[[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 32803812
1-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 171705345
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 43088533
1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide
CID 75371651
1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide
CID 146106982
1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 26003922
methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 78920258
ethyl (3S)-1-[4-(benzylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperidine-3-carboxylate
CID 8547425
ethyl (3R)-1-[4-(benzylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperidine-3-carboxylate
CID 8547414

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide (CID 167812213) is 1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide is Cn1ncc2c(NCc3ccccc3N3CCCC(C(N)=O)C3)ncnc21.
What is the InChIKey of 1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide?
The InChIKey is ANUFDLOSUNHXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-25-19-15(10-24-25)18(22-12-23-19)21-9-13-5-2-3-7-16(13)26-8-4-6-14(11-26)17(20)27/h2-3,5,7,10,12,14H,4,6,8-9,11H2,1H3,(H2,20,27)(H,21,22,23).
What are the key properties of 1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide?
1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 167812213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).