9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

C24H27N7O3 — CID 71573162

IUPAC9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
SMILESC[C@@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(N)nc5)nc4c32)CC1
InChIInChI=1S/C24H27N7O3/c1-14(32)23(33)30-9-7-17(8-10-30)31-22-16(13-29(2)24(31)34)12-26-19-5-4-18(28-21(19)22)15-3-6-20(25)27-11-15/h3-6,11-12,14,17,32H,7-10,13H2,1-2H3,(H2,25,27)/t14-/m1/s1
InChIKeyLWFAFJZKEMCHBU-CQSZACIVSA-N
MW461.53 g/mol
LogP2.02
Rot. Bonds3

About 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 71573162) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
PubChem CID71573162
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
SMILESC[C@@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(N)nc5)nc4c32)CC1
InChIInChI=1S/C24H27N7O3/c1-14(32)23(33)30-9-7-17(8-10-30)31-22-16(13-29(2)24(31)34)12-26-19-5-4-18(28-21(19)22)15-3-6-20(25)27-11-15/h3-6,11-12,14,17,32H,7-10,13H2,1-2H3,(H2,25,27)/t14-/m1/s1
InChIKeyLWFAFJZKEMCHBU-CQSZACIVSA-N
XLogP2.02
TPSA128.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The IUPAC name of 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 71573162) is 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The canonical SMILES for 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is C[C@@H](O)C(=O)N1CCC(N2C(=O)N(C)Cc3cnc4ccc(-c5ccc(N)nc5)nc4c32)CC1.
What is the InChIKey of 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The InChIKey is LWFAFJZKEMCHBU-CQSZACIVSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-14(32)23(33)30-9-7-17(8-10-30)31-22-16(13-29(2)24(31)34)12-26-19-5-4-18(28-21(19)22)15-3-6-20(25)27-11-15/h3-6,11-12,14,17,32H,7-10,13H2,1-2H3,(H2,25,27)/t14-/m1/s1.
What are the key properties of 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 461.53 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-amino-3-pyridinyl)-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 71573162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).