(3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one

C23H24N8O — CID 135345526

IUPAC(3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one
SMILESCc1ccncc1-c1cc2cc(Nc3cnn([C@@H]4CCCN(C)C4=O)c3)ncc2c(N)n1
InChIInChI=1S/C23H24N8O/c1-14-5-6-25-11-17(14)19-8-15-9-21(26-12-18(15)22(24)29-19)28-16-10-27-31(13-16)20-4-3-7-30(2)23(20)32/h5-6,8-13,20H,3-4,7H2,1-2H3,(H2,24,29)(H,26,28)/t20-/m1/s1
InChIKeyHMQBWFYWTCRPPS-HXUWFJFHSA-N
MW428.50 g/mol
LogP3.32
Rot. Bonds4

About (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one

(3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one (PubChem CID 135345526) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one
PubChem CID135345526
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name(3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one
SMILESCc1ccncc1-c1cc2cc(Nc3cnn([C@@H]4CCCN(C)C4=O)c3)ncc2c(N)n1
InChIInChI=1S/C23H24N8O/c1-14-5-6-25-11-17(14)19-8-15-9-21(26-12-18(15)22(24)29-19)28-16-10-27-31(13-16)20-4-3-7-30(2)23(20)32/h5-6,8-13,20H,3-4,7H2,1-2H3,(H2,24,29)(H,26,28)/t20-/m1/s1
InChIKeyHMQBWFYWTCRPPS-HXUWFJFHSA-N
XLogP3.32
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one?
The IUPAC name of (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one (CID 135345526) is (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one.
What is the SMILES notation for (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one?
The canonical SMILES for (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one is Cc1ccncc1-c1cc2cc(Nc3cnn([C@@H]4CCCN(C)C4=O)c3)ncc2c(N)n1.
What is the InChIKey of (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one?
The InChIKey is HMQBWFYWTCRPPS-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24N8O/c1-14-5-6-25-11-17(14)19-8-15-9-21(26-12-18(15)22(24)29-19)28-16-10-27-31(13-16)20-4-3-7-30(2)23(20)32/h5-6,8-13,20H,3-4,7H2,1-2H3,(H2,24,29)(H,26,28)/t20-/m1/s1.
What are the key properties of (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one?
(3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one has a molecular weight of 428.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpiperidin-2-one is sourced from PubChem (CID 135345526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).