(3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol

C35H38F2N10O4 — CID 118869642

IUPAC(3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol
SMILESCC(C)(O)c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.C[C@@H]1COCCN1c1cc(OC(F)F)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C18H21N5O2.C17H17F2N5O2/c1-18(2,24)13-11-15(23-7-9-25-10-8-23)21-16-12(13)3-5-19-17(16)14-4-6-20-22-14;1-10-9-25-7-6-24(10)14-8-13(26-17(18)19)11-2-4-20-16(15(11)22-14)12-3-5-21-23-12/h3-6,11,24H,7-10H2,1-2H3,(H,20,22);2-5,8,10,17H,6-7,9H2,1H3,(H,21,23)/t;10-/m.1/s1
InChIKeyGCTHICJPKXGUNN-RLGBJRSSSA-N
MW700.75 g/mol
LogP4.93
Rot. Bonds7

About (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol

(3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol (PubChem CID 118869642) has the molecular formula C35H38F2N10O4 and a molecular weight of 700.75 g/mol. Its IUPAC name is (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol
PubChem CID118869642
Molecular FormulaC35H38F2N10O4
Molecular Weight700.75 g/mol
Exact Mass700.30
IUPAC Name(3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol
SMILESCC(C)(O)c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.C[C@@H]1COCCN1c1cc(OC(F)F)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C18H21N5O2.C17H17F2N5O2/c1-18(2,24)13-11-15(23-7-9-25-10-8-23)21-16-12(13)3-5-19-17(16)14-4-6-20-22-14;1-10-9-25-7-6-24(10)14-8-13(26-17(18)19)11-2-4-20-16(15(11)22-14)12-3-5-21-23-12/h3-6,11,24H,7-10H2,1-2H3,(H,20,22);2-5,8,10,17H,6-7,9H2,1H3,(H,21,23)/t;10-/m.1/s1
InChIKeyGCTHICJPKXGUNN-RLGBJRSSSA-N
XLogP4.93
TPSA163.32 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.75
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol?
The IUPAC name of (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol (CID 118869642) is (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol.
What is the SMILES notation for (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol?
The canonical SMILES for (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol is CC(C)(O)c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.C[C@@H]1COCCN1c1cc(OC(F)F)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol?
The InChIKey is GCTHICJPKXGUNN-RLGBJRSSSA-N. The full InChI is InChI=1S/C18H21N5O2.C17H17F2N5O2/c1-18(2,24)13-11-15(23-7-9-25-10-8-23)21-16-12(13)3-5-19-17(16)14-4-6-20-22-14;1-10-9-25-7-6-24(10)14-8-13(26-17(18)19)11-2-4-20-16(15(11)22-14)12-3-5-21-23-12/h3-6,11,24H,7-10H2,1-2H3,(H,20,22);2-5,8,10,17H,6-7,9H2,1H3,(H,21,23)/t;10-/m.1/s1.
What are the key properties of (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol?
(3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol has a molecular weight of 700.75 g/mol, XLogP of 4.93, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(difluoromethoxy)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine;2-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]propan-2-ol is sourced from PubChem (CID 118869642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).