N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H26F2N10O3 — CID 135200144

IUPACN-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc4cn[nH]c4cc3OC(F)F)n2)CC1
InChIInChI=1S/C26H26F2N10O3/c1-2-35-6-8-36(9-7-35)22(39)15-37-14-20(32-25(40)18-13-31-38-5-3-4-29-24(18)38)23(34-37)17-10-16-12-30-33-19(16)11-21(17)41-26(27)28/h3-5,10-14,26H,2,6-9,15H2,1H3,(H,30,33)(H,32,40)
InChIKeyKCLJOAMWYRMVKX-UHFFFAOYSA-N
MW564.56 g/mol
LogP2.49
Rot. Bonds8

About N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135200144) has the molecular formula C26H26F2N10O3 and a molecular weight of 564.56 g/mol. Its IUPAC name is N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135200144
Molecular FormulaC26H26F2N10O3
Molecular Weight564.56 g/mol
Exact Mass564.22
IUPAC NameN-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc4cn[nH]c4cc3OC(F)F)n2)CC1
InChIInChI=1S/C26H26F2N10O3/c1-2-35-6-8-36(9-7-35)22(39)15-37-14-20(32-25(40)18-13-31-38-5-3-4-29-24(18)38)23(34-37)17-10-16-12-30-33-19(16)11-21(17)41-26(27)28/h3-5,10-14,26H,2,6-9,15H2,1H3,(H,30,33)(H,32,40)
InChIKeyKCLJOAMWYRMVKX-UHFFFAOYSA-N
XLogP2.49
TPSA138.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.56
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135200144) is N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc4cn[nH]c4cc3OC(F)F)n2)CC1.
What is the InChIKey of N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KCLJOAMWYRMVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N10O3/c1-2-35-6-8-36(9-7-35)22(39)15-37-14-20(32-25(40)18-13-31-38-5-3-4-29-24(18)38)23(34-37)17-10-16-12-30-33-19(16)11-21(17)41-26(27)28/h3-5,10-14,26H,2,6-9,15H2,1H3,(H,30,33)(H,32,40).
What are the key properties of N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 564.56 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(difluoromethoxy)-1H-indazol-5-yl]-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135200144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).