6-formamido-N-[1-(4-methoxyphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H24N8O3 — CID 90275535

IUPAC6-formamido-N-[1-(4-methoxyphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-n2nc(C3CCNCC3)cc2NC(=O)c2cnn3cc(NC=O)cnc23)cc1
InChIInChI=1S/C23H24N8O3/c1-34-18-4-2-17(3-5-18)31-21(10-20(29-31)15-6-8-24-9-7-15)28-23(33)19-12-27-30-13-16(26-14-32)11-25-22(19)30/h2-5,10-15,24H,6-9H2,1H3,(H,26,32)(H,28,33)
InChIKeyUPPXBKKWAMGHPQ-UHFFFAOYSA-N
MW460.50 g/mol
LogP2.21
Rot. Bonds7

About 6-formamido-N-[1-(4-methoxyphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-formamido-N-[1-(4-methoxyphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90275535) has the molecular formula C23H24N8O3 and a molecular weight of 460.50 g/mol. Its IUPAC name is 6-formamido-N-[1-(4-methoxyphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-formamido-N-[1-(4-methoxyphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90275535
Molecular FormulaC23H24N8O3
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC Name6-formamido-N-[1-(4-methoxyphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-n2nc(C3CCNCC3)cc2NC(=O)c2cnn3cc(NC=O)cnc23)cc1
InChIInChI=1S/C23H24N8O3/c1-34-18-4-2-17(3-5-18)31-21(10-20(29-31)15-6-8-24-9-7-15)28-23(33)19-12-27-30-13-16(26-14-32)11-25-22(19)30/h2-5,10-15,24H,6-9H2,1H3,(H,26,32)(H,28,33)
InChIKeyUPPXBKKWAMGHPQ-UHFFFAOYSA-N
XLogP2.21
TPSA127.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-formamido-N-[1-(4-methoxyphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-formamido-N-[1-(4-methoxyphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90275535) is 6-formamido-N-[1-(4-methoxyphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-formamido-N-[1-(4-methoxyphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-formamido-N-[1-(4-methoxyphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-n2nc(C3CCNCC3)cc2NC(=O)c2cnn3cc(NC=O)cnc23)cc1.
What is the InChIKey of 6-formamido-N-[1-(4-methoxyphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UPPXBKKWAMGHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O3/c1-34-18-4-2-17(3-5-18)31-21(10-20(29-31)15-6-8-24-9-7-15)28-23(33)19-12-27-30-13-16(26-14-32)11-25-22(19)30/h2-5,10-15,24H,6-9H2,1H3,(H,26,32)(H,28,33).
What are the key properties of 6-formamido-N-[1-(4-methoxyphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-formamido-N-[1-(4-methoxyphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formamido-N-[1-(4-methoxyphenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90275535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).