N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H16F2N6O3 — CID 135200153

IUPACN-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc2c(cc1OC(F)F)CCCO2)c1cnn2cccnc12
InChIInChI=1S/C20H16F2N6O3/c21-20(22)31-16-7-11-3-1-6-30-15(11)8-12(16)17-14(10-24-27-17)26-19(29)13-9-25-28-5-2-4-23-18(13)28/h2,4-5,7-10,20H,1,3,6H2,(H,24,27)(H,26,29)
InChIKeyQBSRYPMQWRGNMC-UHFFFAOYSA-N
MW426.38 g/mol
LogP3.30
Rot. Bonds5

About N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135200153) has the molecular formula C20H16F2N6O3 and a molecular weight of 426.38 g/mol. Its IUPAC name is N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135200153
Molecular FormulaC20H16F2N6O3
Molecular Weight426.38 g/mol
Exact Mass426.13
IUPAC NameN-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc2c(cc1OC(F)F)CCCO2)c1cnn2cccnc12
InChIInChI=1S/C20H16F2N6O3/c21-20(22)31-16-7-11-3-1-6-30-15(11)8-12(16)17-14(10-24-27-17)26-19(29)13-9-25-28-5-2-4-23-18(13)28/h2,4-5,7-10,20H,1,3,6H2,(H,24,27)(H,26,29)
InChIKeyQBSRYPMQWRGNMC-UHFFFAOYSA-N
XLogP3.30
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135200153) is N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn[nH]c1-c1cc2c(cc1OC(F)F)CCCO2)c1cnn2cccnc12.
What is the InChIKey of N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QBSRYPMQWRGNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O3/c21-20(22)31-16-7-11-3-1-6-30-15(11)8-12(16)17-14(10-24-27-17)26-19(29)13-9-25-28-5-2-4-23-18(13)28/h2,4-5,7-10,20H,1,3,6H2,(H,24,27)(H,26,29).
What are the key properties of N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 426.38 g/mol, XLogP of 3.30, 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)-3,4-dihydro-2H-chromen-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135200153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).