4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine

C28H29F2N7O — CID 176992019

IUPAC4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine
SMILESCc1c(F)cc2[nH]ncc2c1-c1cc2nc(OCC34CCCN3CCC4)nc(N3CCC=C(F)C3)c2cn1
InChIInChI=1S/C28H29F2N7O/c1-17-21(30)11-23-19(14-32-35-23)25(17)24-12-22-20(13-31-24)26(36-8-2-5-18(29)15-36)34-27(33-22)38-16-28-6-3-9-37(28)10-4-7-28/h5,11-14H,2-4,6-10,15-16H2,1H3,(H,32,35)
InChIKeyYFPQHTISJVPCCU-UHFFFAOYSA-N
MW517.58 g/mol
LogP5.09
Rot. Bonds5

About 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine

4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine (PubChem CID 176992019) has the molecular formula C28H29F2N7O and a molecular weight of 517.58 g/mol. Its IUPAC name is 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine
PubChem CID176992019
Molecular FormulaC28H29F2N7O
Molecular Weight517.58 g/mol
Exact Mass517.24
IUPAC Name4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine
SMILESCc1c(F)cc2[nH]ncc2c1-c1cc2nc(OCC34CCCN3CCC4)nc(N3CCC=C(F)C3)c2cn1
InChIInChI=1S/C28H29F2N7O/c1-17-21(30)11-23-19(14-32-35-23)25(17)24-12-22-20(13-31-24)26(36-8-2-5-18(29)15-36)34-27(33-22)38-16-28-6-3-9-37(28)10-4-7-28/h5,11-14H,2-4,6-10,15-16H2,1H3,(H,32,35)
InChIKeyYFPQHTISJVPCCU-UHFFFAOYSA-N
XLogP5.09
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.58
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

4-[1-(difluoromethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(5,6-dimethyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine
CID 176991810
7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine
CID 176991840
4-[(1S,5S)-1-(2,2-difluoroethenyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)pyrido[4,3-d]pyrimidine
CID 177213119
4-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-6-methyl-1,4-oxazepan-6-ol
CID 164534702
7-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-2λ6-thia-1,3,7,10-tetrazaspiro[4.5]decane 2,2-dioxide
CID 164535167
(5R)-9-[6-chloro-7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 169126343
1-[7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperidin-3-ol
CID 164534479
7-(6-chloro-5-methyl-1H-indazol-4-yl)-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]pyrido[4,3-d]pyrimidine
CID 164521637
30-fluoro-24-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-9-methyl-5,6,16,21,23,25,29-heptazaheptacyclo[24.3.1.117,21.02,10.03,7.011,13.022,27]hentriaconta-1(29),2(10),3(7),4,8,22,24,26(30),27-nonaene
CID 177330375
7-(5,6-dimethyl-1H-indazol-4-yl)-4-(1-ethenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidine
CID 176992079
(5R)-9-[7-(5,6-dimethyl-1H-indazol-4-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-4-yl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 169126402
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4-hydroxyazepan-1-yl)-6-[6-methyl-5-(trifluoromethoxy)-1H-indazol-4-yl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 177203266

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine (CID 176992019) is 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine is Cc1c(F)cc2[nH]ncc2c1-c1cc2nc(OCC34CCCN3CCC4)nc(N3CCC=C(F)C3)c2cn1.
What is the InChIKey of 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine?
The InChIKey is YFPQHTISJVPCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N7O/c1-17-21(30)11-23-19(14-32-35-23)25(17)24-12-22-20(13-31-24)26(36-8-2-5-18(29)15-36)34-27(33-22)38-16-28-6-3-9-37(28)10-4-7-28/h5,11-14H,2-4,6-10,15-16H2,1H3,(H,32,35).
What are the key properties of 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine?
4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine has a molecular weight of 517.58 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 176992019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).