3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol

C19H20FN4O2P — CID 139396017

IUPAC3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol
SMILESCOc1cc(O)c(P)c(-c2cc3cnc(N)cc3c(NCC3CC3)n2)c1F
InChIInChI=1S/C19H20FN4O2P/c1-26-14-6-13(25)18(27)16(17(14)20)12-4-10-8-22-15(21)5-11(10)19(24-12)23-7-9-2-3-9/h4-6,8-9,25H,2-3,7,27H2,1H3,(H2,21,22)(H,23,24)
InChIKeyUFQFGPZOWRKUQN-UHFFFAOYSA-N
MW386.37 g/mol
LogP3.05
Rot. Bonds5

About 3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol

3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol (PubChem CID 139396017) has the molecular formula C19H20FN4O2P and a molecular weight of 386.37 g/mol. Its IUPAC name is 3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol.

Molecular Properties

Compound Name3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol
PubChem CID139396017
Molecular FormulaC19H20FN4O2P
Molecular Weight386.37 g/mol
Exact Mass386.13
IUPAC Name3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol
SMILESCOc1cc(O)c(P)c(-c2cc3cnc(N)cc3c(NCC3CC3)n2)c1F
InChIInChI=1S/C19H20FN4O2P/c1-26-14-6-13(25)18(27)16(17(14)20)12-4-10-8-22-15(21)5-11(10)19(24-12)23-7-9-2-3-9/h4-6,8-9,25H,2-3,7,27H2,1H3,(H2,21,22)(H,23,24)
InChIKeyUFQFGPZOWRKUQN-UHFFFAOYSA-N
XLogP3.05
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-{2-[(tert-butylcarbamoyl)amino]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl}acetamide
CID 5329001
1,6-Naphthyridine 23
CID 5330133
3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
CID 5330125
7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine
CID 5330131
3-(3,5-Dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine
CID 5328996
1-[7-Amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-methylurea
CID 5328997
1-[7-Amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-ethylurea
CID 5328998
1-[7-Amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-tert-butylurea
CID 5328999
3-[7-Amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-1-phenylurea
CID 5329000
N-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide
CID 5329002
3-Tert-butyl-1-{7-[(tert-butylcarbamoyl)amino]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl}urea
CID 5329003
1,6-Naphthyridine 18
CID 5330128

Frequently Asked Questions

What is the IUPAC name of 3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol?
The IUPAC name of 3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol (CID 139396017) is 3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol.
What is the SMILES notation for 3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol?
The canonical SMILES for 3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol is COc1cc(O)c(P)c(-c2cc3cnc(N)cc3c(NCC3CC3)n2)c1F.
What is the InChIKey of 3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol?
The InChIKey is UFQFGPZOWRKUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN4O2P/c1-26-14-6-13(25)18(27)16(17(14)20)12-4-10-8-22-15(21)5-11(10)19(24-12)23-7-9-2-3-9/h4-6,8-9,25H,2-3,7,27H2,1H3,(H2,21,22)(H,23,24).
What are the key properties of 3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol?
3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol has a molecular weight of 386.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol is sourced from PubChem (CID 139396017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).