4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C41H36Cl2N12O3 — CID 135313724

IUPAC4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1nccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1Cl.Clc1cncc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C21H19ClN6O2.C20H17ClN6O/c1-29-21-18(22)13(2-6-24-21)15-12-17(28-8-10-30-11-9-28)26-19-14(15)3-5-23-20(19)16-4-7-25-27-16;21-14-9-13(11-22-12-14)16-10-18(27-5-7-28-8-6-27)25-19-15(16)1-3-23-20(19)17-2-4-24-26-17/h2-7,12H,8-11H2,1H3,(H,25,27);1-4,9-12H,5-8H2,(H,24,26)
InChIKeyLSCSFJLTMIJTMQ-UHFFFAOYSA-N
MW815.73 g/mol
LogP7.15
Rot. Bonds7

About 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 135313724) has the molecular formula C41H36Cl2N12O3 and a molecular weight of 815.73 g/mol. Its IUPAC name is 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID135313724
Molecular FormulaC41H36Cl2N12O3
Molecular Weight815.73 g/mol
Exact Mass814.24
IUPAC Name4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCOc1nccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1Cl.Clc1cncc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C21H19ClN6O2.C20H17ClN6O/c1-29-21-18(22)13(2-6-24-21)15-12-17(28-8-10-30-11-9-28)26-19-14(15)3-5-23-20(19)16-4-7-25-27-16;21-14-9-13(11-22-12-14)16-10-18(27-5-7-28-8-6-27)25-19-15(16)1-3-23-20(19)17-2-4-24-26-17/h2-7,12H,8-11H2,1H3,(H,25,27);1-4,9-12H,5-8H2,(H,24,26)
InChIKeyLSCSFJLTMIJTMQ-UHFFFAOYSA-N
XLogP7.15
TPSA168.87 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500815.73
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 135313724) is 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is COc1nccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1Cl.Clc1cncc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.
What is the InChIKey of 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is LSCSFJLTMIJTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2.C20H17ClN6O/c1-29-21-18(22)13(2-6-24-21)15-12-17(28-8-10-30-11-9-28)26-19-14(15)3-5-23-20(19)16-4-7-25-27-16;21-14-9-13(11-22-12-14)16-10-18(27-5-7-28-8-6-27)25-19-15(16)1-3-23-20(19)17-2-4-24-26-17/h2-7,12H,8-11H2,1H3,(H,25,27);1-4,9-12H,5-8H2,(H,24,26).
What are the key properties of 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 815.73 g/mol, XLogP of 7.15, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-2-methoxy-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[4-(5-chloro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 135313724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).