2-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol

C19H18ClFN4O2 — CID 172552499

IUPAC2-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol
SMILESCN1CCC[C@H]1COc1ncc2cc(Cl)c(-c3c(O)cccc3F)nc2n1
InChIInChI=1S/C19H18ClFN4O2/c1-25-7-3-4-12(25)10-27-19-22-9-11-8-13(20)17(23-18(11)24-19)16-14(21)5-2-6-15(16)26/h2,5-6,8-9,12,26H,3-4,7,10H2,1H3/t12-/m0/s1
InChIKeyTZTCLWFPLQALMX-LBPRGKRZSA-N
MW388.83 g/mol
LogP3.66
Rot. Bonds4

About 2-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol

2-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol (PubChem CID 172552499) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is 2-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol.

Molecular Properties

Compound Name2-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol
PubChem CID172552499
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC Name2-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol
SMILESCN1CCC[C@H]1COc1ncc2cc(Cl)c(-c3c(O)cccc3F)nc2n1
InChIInChI=1S/C19H18ClFN4O2/c1-25-7-3-4-12(25)10-27-19-22-9-11-8-13(20)17(23-18(11)24-19)16-14(21)5-2-6-15(16)26/h2,5-6,8-9,12,26H,3-4,7,10H2,1H3/t12-/m0/s1
InChIKeyTZTCLWFPLQALMX-LBPRGKRZSA-N
XLogP3.66
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(15-Chloro-7,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl)-2-(4-fluorophenyl)propan-2-ol
CID 71007670
CID 136619234
CID 136619234
2-[(2R)-1-(4-chloropyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-yl]-4-fluorophenol
CID 146196767
2-[(2S)-4-[8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile
CID 154644454
1-[4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 155344973
1-[4-[6-Chloro-7-(2-fluoro-6-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[2,3-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 155344976
1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 155345069
1-[4-[6-Chloro-7-(2-fluoro-6-hydroxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[2,3-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 155345074
2-fluoro-1-[(2R)-4-[8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one
CID 155629928
2-[1-(4-Chloropyrido[3,2-d]pyrimidin-6-yl)pyrrolidin-2-yl]-4-fluorophenol
CID 156084894
7-Chloro-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidine
CID 156117213
7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidine
CID 156117215

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol?
The IUPAC name of 2-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol (CID 172552499) is 2-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol.
What is the SMILES notation for 2-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol?
The canonical SMILES for 2-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol is CN1CCC[C@H]1COc1ncc2cc(Cl)c(-c3c(O)cccc3F)nc2n1.
What is the InChIKey of 2-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol?
The InChIKey is TZTCLWFPLQALMX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18ClFN4O2/c1-25-7-3-4-12(25)10-27-19-22-9-11-8-13(20)17(23-18(11)24-19)16-14(21)5-2-6-15(16)26/h2,5-6,8-9,12,26H,3-4,7,10H2,1H3/t12-/m0/s1.
What are the key properties of 2-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol?
2-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol has a molecular weight of 388.83 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenol is sourced from PubChem (CID 172552499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).