(3R)-4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C22H21ClN6O — CID 118869528

IUPAC(3R)-4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)c(Cl)n1
InChIInChI=1S/C22H21ClN6O/c1-13-3-4-16(22(23)26-13)17-11-19(29-9-10-30-12-14(29)2)27-20-15(17)5-7-24-21(20)18-6-8-25-28-18/h3-8,11,14H,9-10,12H2,1-2H3,(H,25,28)/t14-/m1/s1
InChIKeyCUYJJBOALZDVKH-CQSZACIVSA-N
MW420.90 g/mol
LogP4.27
Rot. Bonds3

About (3R)-4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869528) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is (3R)-4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869528
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC Name(3R)-4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)c(Cl)n1
InChIInChI=1S/C22H21ClN6O/c1-13-3-4-16(22(23)26-13)17-11-19(29-9-10-30-12-14(29)2)27-20-15(17)5-7-24-21(20)18-6-8-25-28-18/h3-8,11,14H,9-10,12H2,1-2H3,(H,25,28)/t14-/m1/s1
InChIKeyCUYJJBOALZDVKH-CQSZACIVSA-N
XLogP4.27
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869528) is (3R)-4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is Cc1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)c(Cl)n1.
What is the InChIKey of (3R)-4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is CUYJJBOALZDVKH-CQSZACIVSA-N. The full InChI is InChI=1S/C22H21ClN6O/c1-13-3-4-16(22(23)26-13)17-11-19(29-9-10-30-12-14(29)2)27-20-15(17)5-7-24-21(20)18-6-8-25-28-18/h3-8,11,14H,9-10,12H2,1-2H3,(H,25,28)/t14-/m1/s1.
What are the key properties of (3R)-4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 420.90 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(2-chloro-6-methyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).