1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

C24H24N8O3 — CID 58379616

IUPAC1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESC[C@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccnc6[nH]ncc56)nc4c32)CC1
InChIInChI=1S/C24H24N8O3/c1-13(33)23(34)31-9-6-14(7-10-31)32-21-19(30(2)24(32)35)12-26-18-4-3-17(28-20(18)21)15-5-8-25-22-16(15)11-27-29-22/h3-5,8,11-14,33H,6-7,9-10H2,1-2H3,(H,25,27,29)/t13-/m0/s1
InChIKeyWJLXKJVDEMAVDD-ZDUSSCGKSA-N
MW472.51 g/mol
LogP1.77
Rot. Bonds3

About 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379616) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379616
Molecular FormulaC24H24N8O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC Name1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESC[C@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccnc6[nH]ncc56)nc4c32)CC1
InChIInChI=1S/C24H24N8O3/c1-13(33)23(34)31-9-6-14(7-10-31)32-21-19(30(2)24(32)35)12-26-18-4-3-17(28-20(18)21)15-5-8-25-22-16(15)11-27-29-22/h3-5,8,11-14,33H,6-7,9-10H2,1-2H3,(H,25,27,29)/t13-/m0/s1
InChIKeyWJLXKJVDEMAVDD-ZDUSSCGKSA-N
XLogP1.77
TPSA134.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379616) is 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is C[C@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccnc6[nH]ncc56)nc4c32)CC1.
What is the InChIKey of 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is WJLXKJVDEMAVDD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H24N8O3/c1-13(33)23(34)31-9-6-14(7-10-31)32-21-19(30(2)24(32)35)12-26-18-4-3-17(28-20(18)21)15-5-8-25-22-16(15)11-27-29-22/h3-5,8,11-14,33H,6-7,9-10H2,1-2H3,(H,25,27,29)/t13-/m0/s1.
What are the key properties of 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 472.51 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).