1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

C25H25N7O3 — CID 58379533

IUPAC1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESC[C@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc6[nH]ncc56)nc4c32)CC1
InChIInChI=1S/C25H25N7O3/c1-14(33)24(34)31-10-8-15(9-11-31)32-23-21(30(2)25(32)35)13-26-20-7-6-18(28-22(20)23)16-4-3-5-19-17(16)12-27-29-19/h3-7,12-15,33H,8-11H2,1-2H3,(H,27,29)/t14-/m0/s1
InChIKeyYVXILUOSLZRLOG-AWEZNQCLSA-N
MW471.52 g/mol
LogP2.37
Rot. Bonds3

About 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379533) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379533
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC Name1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESC[C@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc6[nH]ncc56)nc4c32)CC1
InChIInChI=1S/C25H25N7O3/c1-14(33)24(34)31-10-8-15(9-11-31)32-23-21(30(2)25(32)35)13-26-20-7-6-18(28-22(20)23)16-4-3-5-19-17(16)12-27-29-19/h3-7,12-15,33H,8-11H2,1-2H3,(H,27,29)/t14-/m0/s1
InChIKeyYVXILUOSLZRLOG-AWEZNQCLSA-N
XLogP2.37
TPSA121.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379533) is 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is C[C@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc6[nH]ncc56)nc4c32)CC1.
What is the InChIKey of 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is YVXILUOSLZRLOG-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-14(33)24(34)31-10-8-15(9-11-31)32-23-21(30(2)25(32)35)13-26-20-7-6-18(28-22(20)23)16-4-3-5-19-17(16)12-27-29-19/h3-7,12-15,33H,8-11H2,1-2H3,(H,27,29)/t14-/m0/s1.
What are the key properties of 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 471.52 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).