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

C24H27FN6O3 — CID 177179923

IUPAC2-[[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
SMILESCOc1nc(NCCO)c2c(OC(C)C)nc(-c3c(C4CC4)c(C)cc4[nH]ncc34)c(F)c2n1
InChIInChI=1S/C24H27FN6O3/c1-11(2)34-23-18-21(29-24(33-4)30-22(18)26-7-8-32)19(25)20(28-23)17-14-10-27-31-15(14)9-12(3)16(17)13-5-6-13/h9-11,13,32H,5-8H2,1-4H3,(H,27,31)(H,26,29,30)
InChIKeyMXIXGHNQNQBRBD-UHFFFAOYSA-N
MW466.52 g/mol
LogP4.09
Rot. Bonds8

About 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

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 (PubChem CID 177179923) has the molecular formula C24H27FN6O3 and a molecular weight of 466.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID177179923
Molecular FormulaC24H27FN6O3
Molecular Weight466.52 g/mol
Exact Mass466.21
IUPAC Name2-[[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
SMILESCOc1nc(NCCO)c2c(OC(C)C)nc(-c3c(C4CC4)c(C)cc4[nH]ncc34)c(F)c2n1
InChIInChI=1S/C24H27FN6O3/c1-11(2)34-23-18-21(29-24(33-4)30-22(18)26-7-8-32)19(25)20(28-23)17-14-10-27-31-15(14)9-12(3)16(17)13-5-6-13/h9-11,13,32H,5-8H2,1-4H3,(H,27,31)(H,26,29,30)
InChIKeyMXIXGHNQNQBRBD-UHFFFAOYSA-N
XLogP4.09
TPSA118.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
3-[1-[(12S)-7-(6-chloro-5-cyclopropyl-1H-indazol-4-yl)-6-fluoro-3-methoxy-12-methyl-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]ethyl]-5-fluoropyridin-2-amine
CID 176974307
(12S)-13-(2,2-difluoroethyl)-6-fluoro-3-methoxy-12-methyl-7-[6-methyl-5-(trifluoromethyl)-1H-indazol-4-yl]-10-oxa-2,4,8,13-tetrazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene
CID 176974509
(6S)-4-[2-[(7a-hydroxy-2,3,4,5,6,7-hexahydro-1H-cyclopenta[b]pyridin-4a-yl)methoxy]-7-(6-chloro-5-cyclopropyl-1H-indazol-4-yl)-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]-6-methyl-1,4-oxazepan-6-ol
CID 176663054
4-[2-(1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridin-4a-ylmethoxy)-7-(6-chloro-5-cyclopropyl-1H-indazol-4-yl)-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-4-yl]-1,4-oxazepan-6-ol
CID 176662525
4-[7-(6-chloro-5-cyclopropyl-1H-indazol-4-yl)-8-fluoro-5-methoxy-2-[[1-(3-methoxycyclobutyl)-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1,4-oxazepane
CID 176663027
1-[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-5-methoxy-2-[(1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperidin-3-ol
CID 176663248
(6S)-4-[7-(6-chloro-5-cyclopropyl-1H-indazol-4-yl)-8-fluoro-5-methoxy-2-[[1-(2-oxaspiro[3.5]nonan-7-yl)-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-6-methyl-1,4-oxazepan-6-ol
CID 176662987
N'-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]ethane-1,2-diamine
CID 164903996
7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-5-[1-(azetidin-2-yl)propan-2-yloxy]-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-amine;ethane
CID 170594391
(3R)-1-[7-(5-cyclopropyl-6-methyl-1H-indazol-4-yl)-8-fluoro-2-[[7-(phenylmethoxymethyl)-1-azabicyclo[3.2.0]heptan-5-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperidin-3-ol
CID 177150198

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1nc(NCCO)c2c(OC(C)C)nc(-c3c(C4CC4)c(C)cc4[nH]ncc34)c(F)c2n1.
What is the InChIKey of 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?
The InChIKey is MXIXGHNQNQBRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O3/c1-11(2)34-23-18-21(29-24(33-4)30-22(18)26-7-8-32)19(25)20(28-23)17-14-10-27-31-15(14)9-12(3)16(17)13-5-6-13/h9-11,13,32H,5-8H2,1-4H3,(H,27,31)(H,26,29,30).
What are the key properties of 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?
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 has a molecular weight of 466.52 g/mol, XLogP of 4.09, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177179923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).