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

C22H21ClN6O2 — CID 122585593

IUPAC4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCCOc1ncc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1Cl
InChIInChI=1S/C22H21ClN6O2/c1-2-31-22-17(23)11-14(13-25-22)16-12-19(29-7-9-30-10-8-29)27-20-15(16)3-5-24-21(20)18-4-6-26-28-18/h3-6,11-13H,2,7-10H2,1H3,(H,26,28)
InChIKeyVCKDUBANHUKQNV-UHFFFAOYSA-N
MW436.90 g/mol
LogP3.97
Rot. Bonds5

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

4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 122585593) has the molecular formula C22H21ClN6O2 and a molecular weight of 436.90 g/mol. Its IUPAC name is 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID122585593
Molecular FormulaC22H21ClN6O2
Molecular Weight436.90 g/mol
Exact Mass436.14
IUPAC Name4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCCOc1ncc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1Cl
InChIInChI=1S/C22H21ClN6O2/c1-2-31-22-17(23)11-14(13-25-22)16-12-19(29-7-9-30-10-8-29)27-20-15(16)3-5-24-21(20)18-4-6-26-28-18/h3-6,11-13H,2,7-10H2,1H3,(H,26,28)
InChIKeyVCKDUBANHUKQNV-UHFFFAOYSA-N
XLogP3.97
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 122585593) is 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is CCOc1ncc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1Cl.
What is the InChIKey of 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is VCKDUBANHUKQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2/c1-2-31-22-17(23)11-14(13-25-22)16-12-19(29-7-9-30-10-8-29)27-20-15(16)3-5-24-21(20)18-4-6-26-28-18/h3-6,11-13H,2,7-10H2,1H3,(H,26,28).
What are the key properties of 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 436.90 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 122585593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).