N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide

C25H24N6O2 — CID 118869650

IUPACN-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide
SMILESO=C(NC1CC1)c1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C25H24N6O2/c32-25(28-18-4-5-18)17-3-1-2-16(14-17)20-15-22(31-10-12-33-13-11-31)29-23-19(20)6-8-26-24(23)21-7-9-27-30-21/h1-3,6-9,14-15,18H,4-5,10-13H2,(H,27,30)(H,28,32)
InChIKeyYKXUXXLLRBWKRJ-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.42
Rot. Bonds5

About N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide

N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide (PubChem CID 118869650) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide
PubChem CID118869650
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide
SMILESO=C(NC1CC1)c1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1
InChIInChI=1S/C25H24N6O2/c32-25(28-18-4-5-18)17-3-1-2-16(14-17)20-15-22(31-10-12-33-13-11-31)29-23-19(20)6-8-26-24(23)21-7-9-27-30-21/h1-3,6-9,14-15,18H,4-5,10-13H2,(H,27,30)(H,28,32)
InChIKeyYKXUXXLLRBWKRJ-UHFFFAOYSA-N
XLogP3.42
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide (CID 118869650) is N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide is O=C(NC1CC1)c1cccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)c1.
What is the InChIKey of N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide?
The InChIKey is YKXUXXLLRBWKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c32-25(28-18-4-5-18)17-3-1-2-16(14-17)20-15-22(31-10-12-33-13-11-31)29-23-19(20)6-8-26-24(23)21-7-9-27-30-21/h1-3,6-9,14-15,18H,4-5,10-13H2,(H,27,30)(H,28,32).
What are the key properties of N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide?
N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide has a molecular weight of 440.51 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]benzamide is sourced from PubChem (CID 118869650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).