N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C32H32F2N8O4 — CID 135186609

IUPACN-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(CC(=O)N2CCC(N3CCOCC3)CC2)nc1-c1cc2ccccc2cc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C32H32F2N8O4/c33-32(34)46-27-17-22-5-2-1-4-21(22)16-24(27)29-26(37-31(44)25-18-36-42-9-3-8-35-30(25)42)19-41(38-29)20-28(43)40-10-6-23(7-11-40)39-12-14-45-15-13-39/h1-5,8-9,16-19,23,32H,6-7,10-15,20H2,(H,37,44)
InChIKeySOGISOMEVJKISI-UHFFFAOYSA-N
MW630.66 g/mol
LogP3.92
Rot. Bonds8

About N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135186609) has the molecular formula C32H32F2N8O4 and a molecular weight of 630.66 g/mol. Its IUPAC name is N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135186609
Molecular FormulaC32H32F2N8O4
Molecular Weight630.66 g/mol
Exact Mass630.25
IUPAC NameN-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn(CC(=O)N2CCC(N3CCOCC3)CC2)nc1-c1cc2ccccc2cc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C32H32F2N8O4/c33-32(34)46-27-17-22-5-2-1-4-21(22)16-24(27)29-26(37-31(44)25-18-36-42-9-3-8-35-30(25)42)19-41(38-29)20-28(43)40-10-6-23(7-11-40)39-12-14-45-15-13-39/h1-5,8-9,16-19,23,32H,6-7,10-15,20H2,(H,37,44)
InChIKeySOGISOMEVJKISI-UHFFFAOYSA-N
XLogP3.92
TPSA119.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.66
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135186609) is N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn(CC(=O)N2CCC(N3CCOCC3)CC2)nc1-c1cc2ccccc2cc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SOGISOMEVJKISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N8O4/c33-32(34)46-27-17-22-5-2-1-4-21(22)16-24(27)29-26(37-31(44)25-18-36-42-9-3-8-35-30(25)42)19-41(38-29)20-28(43)40-10-6-23(7-11-40)39-12-14-45-15-13-39/h1-5,8-9,16-19,23,32H,6-7,10-15,20H2,(H,37,44).
What are the key properties of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 630.66 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135186609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).