1-[8-amino-5-fluoro-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea

C19H17FN8O — CID 135344822

IUPAC1-[8-amino-5-fluoro-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea
SMILESCc1ccncc1-c1nc(N)c2cnc(NC(=O)Nc3cnn(C)c3)cc2c1F
InChIInChI=1S/C19H17FN8O/c1-10-3-4-22-7-13(10)17-16(20)12-5-15(23-8-14(12)18(21)27-17)26-19(29)25-11-6-24-28(2)9-11/h3-9H,1-2H3,(H2,21,27)(H2,23,25,26,29)
InChIKeyHXBGLWJVYZZWAF-UHFFFAOYSA-N
MW392.40 g/mol
LogP3.10
Rot. Bonds3

About 1-[8-amino-5-fluoro-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea

1-[8-amino-5-fluoro-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea (PubChem CID 135344822) has the molecular formula C19H17FN8O and a molecular weight of 392.40 g/mol. Its IUPAC name is 1-[8-amino-5-fluoro-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[8-amino-5-fluoro-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea
PubChem CID135344822
Molecular FormulaC19H17FN8O
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC Name1-[8-amino-5-fluoro-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea
SMILESCc1ccncc1-c1nc(N)c2cnc(NC(=O)Nc3cnn(C)c3)cc2c1F
InChIInChI=1S/C19H17FN8O/c1-10-3-4-22-7-13(10)17-16(20)12-5-15(23-8-14(12)18(21)27-17)26-19(29)25-11-6-24-28(2)9-11/h3-9H,1-2H3,(H2,21,27)(H2,23,25,26,29)
InChIKeyHXBGLWJVYZZWAF-UHFFFAOYSA-N
XLogP3.10
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[8-amino-5-fluoro-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-[8-amino-5-fluoro-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea (CID 135344822) is 1-[8-amino-5-fluoro-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[8-amino-5-fluoro-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-[8-amino-5-fluoro-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea is Cc1ccncc1-c1nc(N)c2cnc(NC(=O)Nc3cnn(C)c3)cc2c1F.
What is the InChIKey of 1-[8-amino-5-fluoro-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is HXBGLWJVYZZWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN8O/c1-10-3-4-22-7-13(10)17-16(20)12-5-15(23-8-14(12)18(21)27-17)26-19(29)25-11-6-24-28(2)9-11/h3-9H,1-2H3,(H2,21,27)(H2,23,25,26,29).
What are the key properties of 1-[8-amino-5-fluoro-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea?
1-[8-amino-5-fluoro-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 392.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-amino-5-fluoro-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 135344822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).