[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-piperidin-1-ylmethanone

C27H28N6O2 — CID 118869674

IUPAC[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1)N1CCCCC1
InChIInChI=1S/C27H28N6O2/c34-27(33-11-2-1-3-12-33)20-6-4-5-19(17-20)22-18-24(32-13-15-35-16-14-32)30-25-21(22)7-9-28-26(25)23-8-10-29-31-23/h4-10,17-18H,1-3,11-16H2,(H,29,31)
InChIKeyRHWWAHVJGDSTNV-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.15
Rot. Bonds4

About [3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-piperidin-1-ylmethanone

[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-piperidin-1-ylmethanone (PubChem CID 118869674) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is [3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-piperidin-1-ylmethanone
PubChem CID118869674
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1)N1CCCCC1
InChIInChI=1S/C27H28N6O2/c34-27(33-11-2-1-3-12-33)20-6-4-5-19(17-20)22-18-24(32-13-15-35-16-14-32)30-25-21(22)7-9-28-26(25)23-8-10-29-31-23/h4-10,17-18H,1-3,11-16H2,(H,29,31)
InChIKeyRHWWAHVJGDSTNV-UHFFFAOYSA-N
XLogP4.15
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-piperidin-1-ylmethanone (CID 118869674) is [3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-piperidin-1-ylmethanone is O=C(c1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1)N1CCCCC1.
What is the InChIKey of [3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is RHWWAHVJGDSTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c34-27(33-11-2-1-3-12-33)20-6-4-5-19(17-20)22-18-24(32-13-15-35-16-14-32)30-25-21(22)7-9-28-26(25)23-8-10-29-31-23/h4-10,17-18H,1-3,11-16H2,(H,29,31).
What are the key properties of [3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-piperidin-1-ylmethanone?
[3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 468.56 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 118869674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).