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

C22H25N7O — CID 118869233

IUPAC(3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)n1cc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)cn1
InChIInChI=1S/C22H25N7O/c1-14(2)29-12-16(11-25-29)18-10-20(28-8-9-30-13-15(28)3)26-21-17(18)4-6-23-22(21)19-5-7-24-27-19/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,24,27)/t15-/m1/s1
InChIKeyHUJWJAJWYNDNGH-OAHLLOKOSA-N
MW403.49 g/mol
LogP3.69
Rot. Bonds4

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

(3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869233) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869233
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name(3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCC(C)n1cc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)cn1
InChIInChI=1S/C22H25N7O/c1-14(2)29-12-16(11-25-29)18-10-20(28-8-9-30-13-15(28)3)26-21-17(18)4-6-23-22(21)19-5-7-24-27-19/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,24,27)/t15-/m1/s1
InChIKeyHUJWJAJWYNDNGH-OAHLLOKOSA-N
XLogP3.69
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869233) is (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is CC(C)n1cc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)cn1.
What is the InChIKey of (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is HUJWJAJWYNDNGH-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25N7O/c1-14(2)29-12-16(11-25-29)18-10-20(28-8-9-30-13-15(28)3)26-21-17(18)4-6-23-22(21)19-5-7-24-27-19/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,24,27)/t15-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 403.49 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).