7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one

C22H20ClFN6O2 — CID 177330764

IUPAC7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(OCC23CCCN2CCC3)nc2c(F)c(-c3cc(Cl)cc4[nH]ncc34)ncc12
InChIInChI=1S/C22H20ClFN6O2/c23-12-7-13(14-10-26-29-16(14)8-12)18-17(24)19-15(9-25-18)20(31)28-21(27-19)32-11-22-3-1-5-30(22)6-2-4-22/h7-10H,1-6,11H2,(H,26,29)(H,27,28,31)
InChIKeyNDWNJOOJRMHTSA-UHFFFAOYSA-N
MW454.89 g/mol
LogP3.66
Rot. Bonds4

About 7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one

7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 177330764) has the molecular formula C22H20ClFN6O2 and a molecular weight of 454.89 g/mol. Its IUPAC name is 7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID177330764
Molecular FormulaC22H20ClFN6O2
Molecular Weight454.89 g/mol
Exact Mass454.13
IUPAC Name7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(OCC23CCCN2CCC3)nc2c(F)c(-c3cc(Cl)cc4[nH]ncc34)ncc12
InChIInChI=1S/C22H20ClFN6O2/c23-12-7-13(14-10-26-29-16(14)8-12)18-17(24)19-15(9-25-18)20(31)28-21(27-19)32-11-22-3-1-5-30(22)6-2-4-22/h7-10H,1-6,11H2,(H,26,29)(H,27,28,31)
InChIKeyNDWNJOOJRMHTSA-UHFFFAOYSA-N
XLogP3.66
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.89
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 164510780
7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 171613565
7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 170618902
[(Z)-4-[2-chloro-6-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]-4-hydroxyphenyl]but-3-enyl] N-(3-methylpiperidin-3-yl)carbamate
CID 178018094
7-(5-chloro-6-methyl-1H-indazol-4-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine
CID 170320911
7-[8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]-8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 167468581
ethyl N-[1-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
CID 177330443
7-bromo-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-3H-quinazolin-4-one
CID 171613429
7-[8-ethynyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 171731469
8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 170939576
10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]spiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one
CID 172587952
cyclopropane;3-[3-[[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(6-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidin-4-yl]-methylamino]propyl]cyclobutan-1-ol;methoxymethane
CID 177329726

Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one (CID 177330764) is 7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(OCC23CCCN2CCC3)nc2c(F)c(-c3cc(Cl)cc4[nH]ncc34)ncc12.
What is the InChIKey of 7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NDWNJOOJRMHTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN6O2/c23-12-7-13(14-10-26-29-16(14)8-12)18-17(24)19-15(9-25-18)20(31)28-21(27-19)32-11-22-3-1-5-30(22)6-2-4-22/h7-10H,1-6,11H2,(H,26,29)(H,27,28,31).
What are the key properties of 7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one?
7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 454.89 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 177330764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).