7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine

C20H24ClF2N5O2 — CID 172508262

IUPAC7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1nc(Cl)c(F)c2nc(OC[C@@]34CCCN3C[C@H](F)C4)nc(N(C)C3CC3)c12
InChIInChI=1S/C20H24ClF2N5O2/c1-27(12-4-5-12)17-13-15(14(23)16(21)25-18(13)29-2)24-19(26-17)30-10-20-6-3-7-28(20)9-11(22)8-20/h11-12H,3-10H2,1-2H3/t11-,20+/m1/s1
InChIKeyCJTPECGMTSNYJU-GIPWTMENSA-N
MW439.89 g/mol
LogP3.38
Rot. Bonds6

About 7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine

7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine (PubChem CID 172508262) has the molecular formula C20H24ClF2N5O2 and a molecular weight of 439.89 g/mol. Its IUPAC name is 7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine
PubChem CID172508262
Molecular FormulaC20H24ClF2N5O2
Molecular Weight439.89 g/mol
Exact Mass439.16
IUPAC Name7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1nc(Cl)c(F)c2nc(OC[C@@]34CCCN3C[C@H](F)C4)nc(N(C)C3CC3)c12
InChIInChI=1S/C20H24ClF2N5O2/c1-27(12-4-5-12)17-13-15(14(23)16(21)25-18(13)29-2)24-19(26-17)30-10-20-6-3-7-28(20)9-11(22)8-20/h11-12H,3-10H2,1-2H3/t11-,20+/m1/s1
InChIKeyCJTPECGMTSNYJU-GIPWTMENSA-N
XLogP3.38
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.89
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

tert-butyl (1R,5S)-3-[7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxypyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 166069127
4-(3-azabicyclo[3.2.0]heptan-3-yl)-7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methylpyrido[4,3-d]pyrimidine
CID 171783337
1-[7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methylpyrido[4,3-d]pyrimidin-4-yl]-N-methylpiperidin-3-amine
CID 171783298
4-[7-chloro-5-ethoxy-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1,4-oxazepane
CID 176594350
7-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylquinazolin-4-amine
CID 170623937
7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[1-(methoxymethyl)-3-azabicyclo[3.2.1]octan-3-yl]pyrido[4,3-d]pyrimidine
CID 175977793
(7S,8S)-12-chloro-13-fluoro-16-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-8-methyl-5,9-dioxa-2,11,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaene
CID 176612555
7-bromo-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-iodo-N,N-dimethylquinazolin-4-amine
CID 169126214
(3S)-1-[7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperidin-3-ol
CID 171783300
(4R,7R)-12-chloro-4-ethyl-9,9,13-trifluoro-16-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-2,5,11,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaene
CID 174149400
7-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-N-methyl-6-(trifluoromethyl)quinazolin-4-amine
CID 170767302
(12S)-7-bromo-8-chloro-6-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-12-methyl-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene
CID 175983500

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine (CID 172508262) is 7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine is COc1nc(Cl)c(F)c2nc(OC[C@@]34CCCN3C[C@H](F)C4)nc(N(C)C3CC3)c12.
What is the InChIKey of 7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is CJTPECGMTSNYJU-GIPWTMENSA-N. The full InChI is InChI=1S/C20H24ClF2N5O2/c1-27(12-4-5-12)17-13-15(14(23)16(21)25-18(13)29-2)24-19(26-17)30-10-20-6-3-7-28(20)9-11(22)8-20/h11-12H,3-10H2,1-2H3/t11-,20+/m1/s1.
What are the key properties of 7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine?
7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 439.89 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-cyclopropyl-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 172508262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).