(3R)-3-methyl-4-[5-methyl-4-naphthalen-2-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C27H25N5O — CID 138637608

IUPAC(3R)-3-methyl-4-[5-methyl-4-naphthalen-2-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C27H25N5O/c1-17-15-28-26(23-9-10-29-31-23)27-25(17)22(14-24(30-27)32-11-12-33-16-18(32)2)21-8-7-19-5-3-4-6-20(19)13-21/h3-10,13-15,18H,11-12,16H2,1-2H3,(H,29,31)/t18-/m1/s1
InChIKeyXOKLWFVWUBCOHR-GOSISDBHSA-N
MW435.53 g/mol
LogP5.37
Rot. Bonds3

About (3R)-3-methyl-4-[5-methyl-4-naphthalen-2-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

(3R)-3-methyl-4-[5-methyl-4-naphthalen-2-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 138637608) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is (3R)-3-methyl-4-[5-methyl-4-naphthalen-2-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[5-methyl-4-naphthalen-2-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID138637608
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name(3R)-3-methyl-4-[5-methyl-4-naphthalen-2-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C27H25N5O/c1-17-15-28-26(23-9-10-29-31-23)27-25(17)22(14-24(30-27)32-11-12-33-16-18(32)2)21-8-7-19-5-3-4-6-20(19)13-21/h3-10,13-15,18H,11-12,16H2,1-2H3,(H,29,31)/t18-/m1/s1
InChIKeyXOKLWFVWUBCOHR-GOSISDBHSA-N
XLogP5.37
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[5-methyl-4-naphthalen-2-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[5-methyl-4-naphthalen-2-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 138637608) is (3R)-3-methyl-4-[5-methyl-4-naphthalen-2-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[5-methyl-4-naphthalen-2-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[5-methyl-4-naphthalen-2-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Cc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3ccc4ccccc4c3)c12.
What is the InChIKey of (3R)-3-methyl-4-[5-methyl-4-naphthalen-2-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is XOKLWFVWUBCOHR-GOSISDBHSA-N. The full InChI is InChI=1S/C27H25N5O/c1-17-15-28-26(23-9-10-29-31-23)27-25(17)22(14-24(30-27)32-11-12-33-16-18(32)2)21-8-7-19-5-3-4-6-20(19)13-21/h3-10,13-15,18H,11-12,16H2,1-2H3,(H,29,31)/t18-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[5-methyl-4-naphthalen-2-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[5-methyl-4-naphthalen-2-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 435.53 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[5-methyl-4-naphthalen-2-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 138637608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).