N-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H22F2N6O — CID 155752308

IUPACN-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CCC(n2cc3cc(NC(=O)c4cnn5cccnc45)c(C(F)F)cc3n2)CC1
InChIInChI=1S/C22H22F2N6O/c1-13-3-5-15(6-4-13)30-12-14-9-19(16(20(23)24)10-18(14)28-30)27-22(31)17-11-26-29-8-2-7-25-21(17)29/h2,7-13,15,20H,3-6H2,1H3,(H,27,31)
InChIKeyMEBJEXJNFBHSHX-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.02
Rot. Bonds4

About N-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155752308) has the molecular formula C22H22F2N6O and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155752308
Molecular FormulaC22H22F2N6O
Molecular Weight424.46 g/mol
Exact Mass424.18
IUPAC NameN-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CCC(n2cc3cc(NC(=O)c4cnn5cccnc45)c(C(F)F)cc3n2)CC1
InChIInChI=1S/C22H22F2N6O/c1-13-3-5-15(6-4-13)30-12-14-9-19(16(20(23)24)10-18(14)28-30)27-22(31)17-11-26-29-8-2-7-25-21(17)29/h2,7-13,15,20H,3-6H2,1H3,(H,27,31)
InChIKeyMEBJEXJNFBHSHX-UHFFFAOYSA-N
XLogP5.02
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(cyclopropylmethoxy)-2-(4-formylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167251117
N-(2-piperidin-4-yl-6-propan-2-yloxyindazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536866
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599059
N-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol
CID 156823602
N-[6-(cyclopropylmethoxy)-2-methylindazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536715
N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156523603
5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175626399
N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438138
[(2R)-1-[[4-[6-methoxy-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]methylamino]-1-oxopropan-2-yl] acetate
CID 163396260
2-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
CID 171034189
2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
CID 163396346
N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 167156198

Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155752308) is N-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1CCC(n2cc3cc(NC(=O)c4cnn5cccnc45)c(C(F)F)cc3n2)CC1.
What is the InChIKey of N-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MEBJEXJNFBHSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O/c1-13-3-5-15(6-4-13)30-12-14-9-19(16(20(23)24)10-18(14)28-30)27-22(31)17-11-26-29-8-2-7-25-21(17)29/h2,7-13,15,20H,3-6H2,1H3,(H,27,31).
What are the key properties of N-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155752308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).