(3R)-3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine

C24H31N5O3 — CID 118890759

IUPAC(3R)-3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)Oc1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)nccc12
InChIInChI=1S/C24H31N5O3/c1-16(2)32-20-14-21(28-11-13-30-15-17(28)3)27-23-18(20)7-9-25-24(23)19-8-10-26-29(19)22-6-4-5-12-31-22/h7-10,14,16-17,22H,4-6,11-13,15H2,1-3H3/t17-,22?/m1/s1
InChIKeyOHVPKNRIMSDWEC-PLEWWHCXSA-N
MW437.54 g/mol
LogP4.20
Rot. Bonds5

About (3R)-3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine

(3R)-3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118890759) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is (3R)-3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine
PubChem CID118890759
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name(3R)-3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)Oc1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)nccc12
InChIInChI=1S/C24H31N5O3/c1-16(2)32-20-14-21(28-11-13-30-15-17(28)3)27-23-18(20)7-9-25-24(23)19-8-10-26-29(19)22-6-4-5-12-31-22/h7-10,14,16-17,22H,4-6,11-13,15H2,1-3H3/t17-,22?/m1/s1
InChIKeyOHVPKNRIMSDWEC-PLEWWHCXSA-N
XLogP4.20
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine (CID 118890759) is (3R)-3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine is CC(C)Oc1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)nccc12.
What is the InChIKey of (3R)-3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is OHVPKNRIMSDWEC-PLEWWHCXSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-16(2)32-20-14-21(28-11-13-30-15-17(28)3)27-23-18(20)7-9-25-24(23)19-8-10-26-29(19)22-6-4-5-12-31-22/h7-10,14,16-17,22H,4-6,11-13,15H2,1-3H3/t17-,22?/m1/s1.
What are the key properties of (3R)-3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 437.54 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-propan-2-yloxy-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118890759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).