N-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide

C19H21Cl2N7O — CID 33202234

IUPACN-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCn1ncc2c(N3CCN(CCC(=O)Nc4c(Cl)cccc4Cl)CC3)ncnc21
InChIInChI=1S/C19H21Cl2N7O/c1-26-18-13(11-24-26)19(23-12-22-18)28-9-7-27(8-10-28)6-5-16(29)25-17-14(20)3-2-4-15(17)21/h2-4,11-12H,5-10H2,1H3,(H,25,29)
InChIKeySNTZTZKWGWJXOV-UHFFFAOYSA-N
MW434.33 g/mol
LogP2.82
Rot. Bonds5

About N-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide

N-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide (PubChem CID 33202234) has the molecular formula C19H21Cl2N7O and a molecular weight of 434.33 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
PubChem CID33202234
Molecular FormulaC19H21Cl2N7O
Molecular Weight434.33 g/mol
Exact Mass433.12
IUPAC NameN-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCn1ncc2c(N3CCN(CCC(=O)Nc4c(Cl)cccc4Cl)CC3)ncnc21
InChIInChI=1S/C19H21Cl2N7O/c1-26-18-13(11-24-26)19(23-12-22-18)28-9-7-27(8-10-28)6-5-16(29)25-17-14(20)3-2-4-15(17)21/h2-4,11-12H,5-10H2,1H3,(H,25,29)
InChIKeySNTZTZKWGWJXOV-UHFFFAOYSA-N
XLogP2.82
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-phenylpropanamide
CID 43065535
N-(2,5-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CID 33202227
N-(2,3-dichlorophenyl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 16608589
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol
CID 110931563
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 16618370
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 16608584
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 16618364
N-[(2-fluorophenyl)methyl]-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 18150388
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18150374
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 16618426
4-(4-benzyl-1,4-diazepan-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine
CID 26021234
1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-piperidin-1-ylethanone
CID 32712917

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide (CID 33202234) is N-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide is Cn1ncc2c(N3CCN(CCC(=O)Nc4c(Cl)cccc4Cl)CC3)ncnc21.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide?
The InChIKey is SNTZTZKWGWJXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N7O/c1-26-18-13(11-24-26)19(23-12-22-18)28-9-7-27(8-10-28)6-5-16(29)25-17-14(20)3-2-4-15(17)21/h2-4,11-12H,5-10H2,1H3,(H,25,29).
What are the key properties of N-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide?
N-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide has a molecular weight of 434.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 33202234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).