(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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Related Compounds

CID 118869362
CID 118869362
CID 49765254
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CID 46899554
CID 46899554
CID 71253342
CID 71253342
CID 71253554
CID 71253554
CID 71253640
CID 71253640
CID 71253796
CID 71253796
CID 71254178
CID 71254178
CID 137279257
CID 137279257
CID 53321410
CID 53321410
CID 56940771
CID 56940771
CID 66556035
CID 66556035

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).