4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide

C18H21N7O — CID 35757392

IUPAC4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide
SMILESCc1nn(C)c2c(N3CCN(C(=O)Nc4ccccc4)CC3)ncnc12
InChIInChI=1S/C18H21N7O/c1-13-15-16(23(2)22-13)17(20-12-19-15)24-8-10-25(11-9-24)18(26)21-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,21,26)
InChIKeyIFLZIPSDALDPKB-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.03
Rot. Bonds2

About 4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide

4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide (PubChem CID 35757392) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide
PubChem CID35757392
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide
SMILESCc1nn(C)c2c(N3CCN(C(=O)Nc4ccccc4)CC3)ncnc12
InChIInChI=1S/C18H21N7O/c1-13-15-16(23(2)22-13)17(20-12-19-15)24-8-10-25(11-9-24)18(26)21-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,21,26)
InChIKeyIFLZIPSDALDPKB-UHFFFAOYSA-N
XLogP2.03
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
CID 35757393
N-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
CID 35757406
1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 35757436
[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 35757404
1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 35758439
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 59676624
N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 2808491
[4-(1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone
CID 35757596
4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 20943284
(E)-3-phenyl-1-[4-(1,3,5-trimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]prop-2-en-1-one
CID 35757512
N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
CID 2951839

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide (CID 35757392) is 4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide is Cc1nn(C)c2c(N3CCN(C(=O)Nc4ccccc4)CC3)ncnc12.
What is the InChIKey of 4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is IFLZIPSDALDPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-13-15-16(23(2)22-13)17(20-12-19-15)24-8-10-25(11-9-24)18(26)21-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,21,26).
What are the key properties of 4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide?
4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 35757392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).