N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide

C24H28F2N6O3 — CID 146599039

IUPACN-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide
SMILESO=C(Nc1cn(C2CCC(CO)CC2)nc1C(F)F)c1ccnc2ccc(N3CCOCC3)nc12
InChIInChI=1S/C24H28F2N6O3/c25-23(26)22-19(13-32(30-22)16-3-1-15(14-33)2-4-16)28-24(34)17-7-8-27-18-5-6-20(29-21(17)18)31-9-11-35-12-10-31/h5-8,13,15-16,23,33H,1-4,9-12,14H2,(H,28,34)
InChIKeyCQHDIYTYZIDLBG-UHFFFAOYSA-N
MW486.52 g/mol
LogP3.58
Rot. Bonds6

About N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide

N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide (PubChem CID 146599039) has the molecular formula C24H28F2N6O3 and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide
PubChem CID146599039
Molecular FormulaC24H28F2N6O3
Molecular Weight486.52 g/mol
Exact Mass486.22
IUPAC NameN-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide
SMILESO=C(Nc1cn(C2CCC(CO)CC2)nc1C(F)F)c1ccnc2ccc(N3CCOCC3)nc12
InChIInChI=1S/C24H28F2N6O3/c25-23(26)22-19(13-32(30-22)16-3-1-15(14-33)2-4-16)28-24(34)17-7-8-27-18-5-6-20(29-21(17)18)31-9-11-35-12-10-31/h5-8,13,15-16,23,33H,1-4,9-12,14H2,(H,28,34)
InChIKeyCQHDIYTYZIDLBG-UHFFFAOYSA-N
XLogP3.58
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide
CID 156523920
6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide
CID 162464942
N-[3-(difluoromethyl)-1-[4-[[[4-[3-(difluoromethyl)-4-[(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166725891
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599693
N-[3-(difluoromethyl)-1-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599596
4-[4-[3-(difluoromethyl)-4-[(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]piperidin-1-yl]benzoic acid
CID 166733888
N-[1-(2-azaspiro[3.5]nonan-7-yl)-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164596374
5-(cyclopropylmethylamino)-N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599694
N-[3-(difluoromethyl)-1-(4-hydroxycyclohexyl)pyrazol-4-yl]-5-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 174097796
CID 158163807
CID 158163807
N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide
CID 156823535
N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbothioamide
CID 156523916

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide (CID 146599039) is N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide is O=C(Nc1cn(C2CCC(CO)CC2)nc1C(F)F)c1ccnc2ccc(N3CCOCC3)nc12.
What is the InChIKey of N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide?
The InChIKey is CQHDIYTYZIDLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6O3/c25-23(26)22-19(13-32(30-22)16-3-1-15(14-33)2-4-16)28-24(34)17-7-8-27-18-5-6-20(29-21(17)18)31-9-11-35-12-10-31/h5-8,13,15-16,23,33H,1-4,9-12,14H2,(H,28,34).
What are the key properties of N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide?
N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 146599039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).