N-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide

C46H63F2N7O3 — CID 69051716

IUPACN-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide
SMILESCC(C)N1CCC(Oc2ccc3c(n2)CCN(c2ccc(C(N)=O)cn2)C3)CC1.CCNC(=O)C1CC(F)(C2CCC(c3ccc(CN4CCCC4)c(F)c3)CC2)C1
InChIInChI=1S/C24H34F2N2O.C22H29N5O2/c1-2-27-23(29)20-14-24(26,15-20)21-9-7-17(8-10-21)18-5-6-19(22(25)13-18)16-28-11-3-4-12-28;1-15(2)26-10-7-18(8-11-26)29-21-6-4-17-14-27(12-9-19(17)25-21)20-5-3-16(13-24-20)22(23)28/h5-6,13,17,20-21H,2-4,7-12,14-16H2,1H3,(H,27,29);3-6,13,15,18H,7-12,14H2,1-2H3,(H2,23,28)
InChIKeyGJUDHORTMUMSGB-UHFFFAOYSA-N
MW800.05 g/mol
LogP7.34
Rot. Bonds11

About N-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide

N-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide (PubChem CID 69051716) has the molecular formula C46H63F2N7O3 and a molecular weight of 800.05 g/mol. Its IUPAC name is N-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide
PubChem CID69051716
Molecular FormulaC46H63F2N7O3
Molecular Weight800.05 g/mol
Exact Mass799.50
IUPAC NameN-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide
SMILESCC(C)N1CCC(Oc2ccc3c(n2)CCN(c2ccc(C(N)=O)cn2)C3)CC1.CCNC(=O)C1CC(F)(C2CCC(c3ccc(CN4CCCC4)c(F)c3)CC2)C1
InChIInChI=1S/C24H34F2N2O.C22H29N5O2/c1-2-27-23(29)20-14-24(26,15-20)21-9-7-17(8-10-21)18-5-6-19(22(25)13-18)16-28-11-3-4-12-28;1-15(2)26-10-7-18(8-11-26)29-21-6-4-17-14-27(12-9-19(17)25-21)20-5-3-16(13-24-20)22(23)28/h5-6,13,17,20-21H,2-4,7-12,14-16H2,1H3,(H,27,29);3-6,13,15,18H,7-12,14H2,1-2H3,(H2,23,28)
InChIKeyGJUDHORTMUMSGB-UHFFFAOYSA-N
XLogP7.34
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.05
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide (CID 69051716) is N-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide is CC(C)N1CCC(Oc2ccc3c(n2)CCN(c2ccc(C(N)=O)cn2)C3)CC1.CCNC(=O)C1CC(F)(C2CCC(c3ccc(CN4CCCC4)c(F)c3)CC2)C1.
What is the InChIKey of N-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide?
The InChIKey is GJUDHORTMUMSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2N2O.C22H29N5O2/c1-2-27-23(29)20-14-24(26,15-20)21-9-7-17(8-10-21)18-5-6-19(22(25)13-18)16-28-11-3-4-12-28;1-15(2)26-10-7-18(8-11-26)29-21-6-4-17-14-27(12-9-19(17)25-21)20-5-3-16(13-24-20)22(23)28/h5-6,13,17,20-21H,2-4,7-12,14-16H2,1H3,(H,27,29);3-6,13,15,18H,7-12,14H2,1-2H3,(H2,23,28).
What are the key properties of N-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide?
N-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide has a molecular weight of 800.05 g/mol, XLogP of 7.34, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-3-[4-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]cyclobutane-1-carboxamide;6-[2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 69051716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).