N-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide

C26H27N7O2 — CID 72550974

IUPACN-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)C2CC2)cc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C26H27N7O2/c1-35-23-10-9-19(30-26(34)18-7-8-18)15-22(23)31-11-13-32(14-12-31)24-21-16-29-33(25(21)28-17-27-24)20-5-3-2-4-6-20/h2-6,9-10,15-18H,7-8,11-14H2,1H3,(H,30,34)
InChIKeyOGMWCWADRLZVKZ-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.50
Rot. Bonds6

About N-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide

N-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide (PubChem CID 72550974) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
PubChem CID72550974
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC NameN-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)C2CC2)cc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C26H27N7O2/c1-35-23-10-9-19(30-26(34)18-7-8-18)15-22(23)31-11-13-32(14-12-31)24-21-16-29-33(25(21)28-17-27-24)20-5-3-2-4-6-20/h2-6,9-10,15-18H,7-8,11-14H2,1H3,(H,30,34)
InChIKeyOGMWCWADRLZVKZ-UHFFFAOYSA-N
XLogP3.50
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 72547760
1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1301905
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 82192144
N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 127616498
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 123351984
1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 7205603
2-(4-bromoanilino)-1-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 172639970
N-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide
CID 71855243
1-cyclopentyl-4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]pyrazolo[5,4-d]pyrimidine
CID 123979175
1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1050412

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide (CID 72550974) is N-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide is COc1ccc(NC(=O)C2CC2)cc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1.
What is the InChIKey of N-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is OGMWCWADRLZVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-35-23-10-9-19(30-26(34)18-7-8-18)15-22(23)31-11-13-32(14-12-31)24-21-16-29-33(25(21)28-17-27-24)20-5-3-2-4-6-20/h2-6,9-10,15-18H,7-8,11-14H2,1H3,(H,30,34).
What are the key properties of N-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide?
N-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 469.55 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 72550974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).