4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C17H23N7OS — CID 71089180

IUPAC4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCC1CSC(CNC(=O)C2(N)CCN(c3ncnc4[nH]ccc34)CC2)=N1
InChIInChI=1S/C17H23N7OS/c1-11-9-26-13(23-11)8-20-16(25)17(18)3-6-24(7-4-17)15-12-2-5-19-14(12)21-10-22-15/h2,5,10-11H,3-4,6-9,18H2,1H3,(H,20,25)(H,19,21,22)
InChIKeyFCRZNTXOKUFVGL-UHFFFAOYSA-N
MW373.49 g/mol
LogP0.91
Rot. Bonds4

About 4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 71089180) has the molecular formula C17H23N7OS and a molecular weight of 373.49 g/mol. Its IUPAC name is 4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID71089180
Molecular FormulaC17H23N7OS
Molecular Weight373.49 g/mol
Exact Mass373.17
IUPAC Name4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCC1CSC(CNC(=O)C2(N)CCN(c3ncnc4[nH]ccc34)CC2)=N1
InChIInChI=1S/C17H23N7OS/c1-11-9-26-13(23-11)8-20-16(25)17(18)3-6-24(7-4-17)15-12-2-5-19-14(12)21-10-22-15/h2,5,10-11H,3-4,6-9,18H2,1H3,(H,20,25)(H,19,21,22)
InChIKeyFCRZNTXOKUFVGL-UHFFFAOYSA-N
XLogP0.91
TPSA112.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

4-amino-N-[(4-fluorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 45141814
4-amino-N-[(4-methylphenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;ethanol
CID 142286757
4-amino-N-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;ethane;ethanol
CID 178015306
1-[4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone
CID 176575619
4-amino-N-[(3-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 45141812
4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid;1-(4-chlorophenyl)-N-methylmethanamine
CID 172779000
4-amino-N-[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride
CID 164628301
4-amino-N-[3-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 68731425
4-(aminomethyl)-N-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 59322288
4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 24965008
methyl 4-oxo-4-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[4.4]nonan-1-yl]butanoate
CID 58293368
4-amino-N-[(4-chlorophenyl)methylidene]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 176576811

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 71089180) is 4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is CC1CSC(CNC(=O)C2(N)CCN(c3ncnc4[nH]ccc34)CC2)=N1.
What is the InChIKey of 4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is FCRZNTXOKUFVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7OS/c1-11-9-26-13(23-11)8-20-16(25)17(18)3-6-24(7-4-17)15-12-2-5-19-14(12)21-10-22-15/h2,5,10-11H,3-4,6-9,18H2,1H3,(H,20,25)(H,19,21,22).
What are the key properties of 4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 373.49 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71089180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).