N-[5-(7-methoxyisoquinolin-6-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H15N7O2 — CID 142393111

IUPACN-[5-(7-methoxyisoquinolin-6-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc2cnccc2cc1-c1[nH]ncc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C20H15N7O2/c1-29-17-8-13-9-21-5-3-12(13)7-14(17)18-16(11-23-26-18)25-20(28)15-10-24-27-6-2-4-22-19(15)27/h2-11H,1H3,(H,23,26)(H,25,28)
InChIKeyAAHDRPFKHXIOAQ-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.93
Rot. Bonds4

About N-[5-(7-methoxyisoquinolin-6-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-(7-methoxyisoquinolin-6-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142393111) has the molecular formula C20H15N7O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-[5-(7-methoxyisoquinolin-6-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(7-methoxyisoquinolin-6-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID142393111
Molecular FormulaC20H15N7O2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC NameN-[5-(7-methoxyisoquinolin-6-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc2cnccc2cc1-c1[nH]ncc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C20H15N7O2/c1-29-17-8-13-9-21-5-3-12(13)7-14(17)18-16(11-23-26-18)25-20(28)15-10-24-27-6-2-4-22-19(15)27/h2-11H,1H3,(H,23,26)(H,25,28)
InChIKeyAAHDRPFKHXIOAQ-UHFFFAOYSA-N
XLogP2.93
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-methoxyisoquinolin-6-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(7-methoxyisoquinolin-6-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142393111) is N-[5-(7-methoxyisoquinolin-6-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(7-methoxyisoquinolin-6-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(7-methoxyisoquinolin-6-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc2cnccc2cc1-c1[nH]ncc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[5-(7-methoxyisoquinolin-6-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AAHDRPFKHXIOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O2/c1-29-17-8-13-9-21-5-3-12(13)7-14(17)18-16(11-23-26-18)25-20(28)15-10-24-27-6-2-4-22-19(15)27/h2-11H,1H3,(H,23,26)(H,25,28).
What are the key properties of N-[5-(7-methoxyisoquinolin-6-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(7-methoxyisoquinolin-6-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-methoxyisoquinolin-6-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142393111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).