N-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide

C25H24N6O2 — CID 71855243

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCO2)C1CCCCN1c1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C25H24N6O2/c32-25(29-18-9-10-22-17(14-18)11-13-33-22)21-8-4-5-12-30(21)23-20-15-28-31(24(20)27-16-26-23)19-6-2-1-3-7-19/h1-3,6-7,9-10,14-16,21H,4-5,8,11-13H2,(H,29,32)
InChIKeyUPDQOIJODDSPCL-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.75
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide

N-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide (PubChem CID 71855243) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide
PubChem CID71855243
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCO2)C1CCCCN1c1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C25H24N6O2/c32-25(29-18-9-10-22-17(14-18)11-13-33-22)21-8-4-5-12-30(21)23-20-15-28-31(24(20)27-16-26-23)19-6-2-1-3-7-19/h1-3,6-7,9-10,14-16,21H,4-5,8,11-13H2,(H,29,32)
InChIKeyUPDQOIJODDSPCL-UHFFFAOYSA-N
XLogP3.75
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051882
4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 78898491
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 94809063
N-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
CID 72550974
5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid
CID 146126182
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 94664592
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 9291521
1-(1-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 84818549
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(3-methylsulfanylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 95775426
4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120673090
2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975485

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide (CID 71855243) is N-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide is O=C(Nc1ccc2c(c1)CCO2)C1CCCCN1c1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide?
The InChIKey is UPDQOIJODDSPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c32-25(29-18-9-10-22-17(14-18)11-13-33-22)21-8-4-5-12-30(21)23-20-15-28-31(24(20)27-16-26-23)19-6-2-1-3-7-19/h1-3,6-7,9-10,14-16,21H,4-5,8,11-13H2,(H,29,32).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide?
N-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxamide is sourced from PubChem (CID 71855243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).