2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C29H37F2N7O3 — CID 177180020

IUPAC2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCOc1nc(NCCO)c2c(OC(C)C)nc(-c3c(C)c(C)cc4[nH]ncc34)c(F)c2n1.FC1CC2CCCN2C1
InChIInChI=1S/C22H25FN6O3.C7H12FN/c1-10(2)32-21-16-19(27-22(31-5)28-20(16)24-6-7-30)17(23)18(26-21)15-12(4)11(3)8-14-13(15)9-25-29-14;8-6-4-7-2-1-3-9(7)5-6/h8-10,30H,6-7H2,1-5H3,(H,25,29)(H,24,27,28);6-7H,1-5H2
InChIKeyYBOCXXMWSACJKN-UHFFFAOYSA-N
MW569.66 g/mol
LogP4.72
Rot. Bonds7

About 2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 177180020) has the molecular formula C29H37F2N7O3 and a molecular weight of 569.66 g/mol. Its IUPAC name is 2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID177180020
Molecular FormulaC29H37F2N7O3
Molecular Weight569.66 g/mol
Exact Mass569.29
IUPAC Name2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCOc1nc(NCCO)c2c(OC(C)C)nc(-c3c(C)c(C)cc4[nH]ncc34)c(F)c2n1.FC1CC2CCCN2C1
InChIInChI=1S/C22H25FN6O3.C7H12FN/c1-10(2)32-21-16-19(27-22(31-5)28-20(16)24-6-7-30)17(23)18(26-21)15-12(4)11(3)8-14-13(15)9-25-29-14;8-6-4-7-2-1-3-9(7)5-6/h8-10,30H,6-7H2,1-5H3,(H,25,29)(H,24,27,28);6-7H,1-5H2
InChIKeyYBOCXXMWSACJKN-UHFFFAOYSA-N
XLogP4.72
TPSA121.31 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.66
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine with MolForge

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Related Compounds

2-[[7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol
CID 177179923
tert-butyl N-[5-[4-amino-7-(3-amino-2,4-difluoro-5,6-dimethylphenyl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-5-yl]oxyhexyl]carbamate;ethane;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 170594269
ethane;5-ethynyl-6-fluoro-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(3-hydroxypropylamino)-5-methoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;5-ethynyl-6-fluoro-4-[8-fluoro-4-(2-hydroxyethylamino)-2-methoxy-5-(trifluoromethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(2R)-2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 177179937
4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methoxy-7-(2-propan-2-yloxyphenyl)pyrido[4,3-d]pyrimidine;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 156645746
4-[4-(butylamino)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-ol;cyclopropane;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 176951148
(Z)-1-[3-[[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-methylamino]pyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 170793523
6-chloro-7-(4-chloronaphthalen-1-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methoxyquinazoline;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 166102808
7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-13-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene
CID 176974249
(5S)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-2-[[1-[(2R,6S)-2,6-dimethyloxan-4-yl]-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methoxy]-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 176662984
7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(2,3,6,7-tetrahydroazepin-1-yl)pyrido[4,3-d]pyrimidine
CID 176991913
2-amino-4-[4-(ethylamino)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;(2-fluorocyclopropyl)-pyrrolidin-1-ylmethanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 170767212
(2R,6S)-4-[2-[[(4aS,7aR)-1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methoxy]-7-(6-chloro-5-methyl-1H-indazol-4-yl)-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)-6-methyl-1,4-oxazepan-6-ol
CID 178162214

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of 2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 177180020) is 2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for 2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for 2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is COc1nc(NCCO)c2c(OC(C)C)nc(-c3c(C)c(C)cc4[nH]ncc34)c(F)c2n1.FC1CC2CCCN2C1.
What is the InChIKey of 2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is YBOCXXMWSACJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O3.C7H12FN/c1-10(2)32-21-16-19(27-22(31-5)28-20(16)24-6-7-30)17(23)18(26-21)15-12(4)11(3)8-14-13(15)9-25-29-14;8-6-4-7-2-1-3-9(7)5-6/h8-10,30H,6-7H2,1-5H3,(H,25,29)(H,24,27,28);6-7H,1-5H2.
What are the key properties of 2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 569.66 g/mol, XLogP of 4.72, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-methoxy-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-yl]amino]ethanol;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 177180020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).