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

C19H13F2N7O2 — CID 158189180

IUPACN-[5-[6-(difluoromethoxy)-1H-isoindol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc2c(cc1OC(F)F)CN=C2)c1cnn2cccnc12
InChIInChI=1S/C19H13F2N7O2/c20-19(21)30-15-5-11-7-22-6-10(11)4-12(15)16-14(9-24-27-16)26-18(29)13-8-25-28-3-1-2-23-17(13)28/h1-6,8-9,19H,7H2,(H,24,27)(H,26,29)
InChIKeyURAWVBMGZJYIBV-UHFFFAOYSA-N
MW409.36 g/mol
LogP2.91
Rot. Bonds5

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

N-[5-[6-(difluoromethoxy)-1H-isoindol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158189180) has the molecular formula C19H13F2N7O2 and a molecular weight of 409.36 g/mol. Its IUPAC name is N-[5-[6-(difluoromethoxy)-1H-isoindol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[6-(difluoromethoxy)-1H-isoindol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158189180
Molecular FormulaC19H13F2N7O2
Molecular Weight409.36 g/mol
Exact Mass409.11
IUPAC NameN-[5-[6-(difluoromethoxy)-1H-isoindol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc2c(cc1OC(F)F)CN=C2)c1cnn2cccnc12
InChIInChI=1S/C19H13F2N7O2/c20-19(21)30-15-5-11-7-22-6-10(11)4-12(15)16-14(9-24-27-16)26-18(29)13-8-25-28-3-1-2-23-17(13)28/h1-6,8-9,19H,7H2,(H,24,27)(H,26,29)
InChIKeyURAWVBMGZJYIBV-UHFFFAOYSA-N
XLogP2.91
TPSA109.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[5-[2-(difluoromethoxy)-5-[3-[2-(2-hydroxyethylamino)ethyl]phenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(difluoromethoxy)-1H-isoindol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[6-(difluoromethoxy)-1H-isoindol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158189180) is N-[5-[6-(difluoromethoxy)-1H-isoindol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[6-(difluoromethoxy)-1H-isoindol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[6-(difluoromethoxy)-1H-isoindol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn[nH]c1-c1cc2c(cc1OC(F)F)CN=C2)c1cnn2cccnc12.
What is the InChIKey of N-[5-[6-(difluoromethoxy)-1H-isoindol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is URAWVBMGZJYIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N7O2/c20-19(21)30-15-5-11-7-22-6-10(11)4-12(15)16-14(9-24-27-16)26-18(29)13-8-25-28-3-1-2-23-17(13)28/h1-6,8-9,19H,7H2,(H,24,27)(H,26,29).
What are the key properties of N-[5-[6-(difluoromethoxy)-1H-isoindol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[6-(difluoromethoxy)-1H-isoindol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 409.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(difluoromethoxy)-1H-isoindol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158189180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).