4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine

C24H24FN5O — CID 161028384

IUPAC4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine
SMILESCc1ccc(Oc2nc3c(c(N4CC5CCNC5C4)n2)-c2cc(F)cc(C)c2C3)cn1
InChIInChI=1S/C24H24FN5O/c1-13-7-16(25)8-19-18(13)9-20-22(19)23(30-11-15-5-6-26-21(15)12-30)29-24(28-20)31-17-4-3-14(2)27-10-17/h3-4,7-8,10,15,21,26H,5-6,9,11-12H2,1-2H3
InChIKeyVZSXGTSQNGTFBV-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.79
Rot. Bonds3

About 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine

4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine (PubChem CID 161028384) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine.

Molecular Properties

Compound Name4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine
PubChem CID161028384
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine
SMILESCc1ccc(Oc2nc3c(c(N4CC5CCNC5C4)n2)-c2cc(F)cc(C)c2C3)cn1
InChIInChI=1S/C24H24FN5O/c1-13-7-16(25)8-19-18(13)9-20-22(19)23(30-11-15-5-6-26-21(15)12-30)29-24(28-20)31-17-4-3-14(2)27-10-17/h3-4,7-8,10,15,21,26H,5-6,9,11-12H2,1-2H3
InChIKeyVZSXGTSQNGTFBV-UHFFFAOYSA-N
XLogP3.79
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

3-[6-fluoro-8-methyl-2-[2-(3-methylazetidin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 161128313
4-(6-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 161381439
4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine
CID 157383138
2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide
CID 159624025
4-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159051487
4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159611744
4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-(1H-imidazo[4,5-b]pyridin-6-yloxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 161128310
4-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-5-chloro-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine
CID 144589915
(7R)-5-[2-[2-[3-(cyclopropylmethyl-methylidene-oxo-λ6-sulfanyl)azetidin-1-yl]pyrimidin-5-yl]oxy-6-fluoro-8-methyl-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-amine
CID 158221831
tert-butyl N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-yl]-N-methylcarbamate
CID 77475050
4-(5-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 160676238
4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[[6-(aminomethyl)-3-pyridinyl]oxy]-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 158332232

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine?
The IUPAC name of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine (CID 161028384) is 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine.
What is the SMILES notation for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine?
The canonical SMILES for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine is Cc1ccc(Oc2nc3c(c(N4CC5CCNC5C4)n2)-c2cc(F)cc(C)c2C3)cn1.
What is the InChIKey of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine?
The InChIKey is VZSXGTSQNGTFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-13-7-16(25)8-19-18(13)9-20-22(19)23(30-11-15-5-6-26-21(15)12-30)29-24(28-20)31-17-4-3-14(2)27-10-17/h3-4,7-8,10,15,21,26H,5-6,9,11-12H2,1-2H3.
What are the key properties of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine?
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine has a molecular weight of 417.49 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine is sourced from PubChem (CID 161028384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).