(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

C32H34ClFN8O3 — CID 169126343

IUPAC(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
SMILESCc1cc2[nH]ncc2c(-c2c(Cl)cc3c(N4CCC[C@]5(C4)NC(=O)NC5=O)nc(OCC45CCCN4CCC5)nc3c2F)c1C
InChIInChI=1S/C32H34ClFN8O3/c1-17-12-22-20(14-35-40-22)23(18(17)2)24-21(33)13-19-26(25(24)34)36-30(45-16-31-6-3-10-42(31)11-4-7-31)37-27(19)41-9-5-8-32(15-41)28(43)38-29(44)39-32/h12-14H,3-11,15-16H2,1-2H3,(H,35,40)(H2,38,39,43,44)/t32-/m1/s1
InChIKeyCEAIMBWQOVNGHT-JGCGQSQUSA-N
MW633.13 g/mol
LogP4.77
Rot. Bonds5

About (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

(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 (PubChem CID 169126343) has the molecular formula C32H34ClFN8O3 and a molecular weight of 633.13 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID169126343
Molecular FormulaC32H34ClFN8O3
Molecular Weight633.13 g/mol
Exact Mass632.24
IUPAC Name(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
SMILESCc1cc2[nH]ncc2c(-c2c(Cl)cc3c(N4CCC[C@]5(C4)NC(=O)NC5=O)nc(OCC45CCCN4CCC5)nc3c2F)c1C
InChIInChI=1S/C32H34ClFN8O3/c1-17-12-22-20(14-35-40-22)23(18(17)2)24-21(33)13-19-26(25(24)34)36-30(45-16-31-6-3-10-42(31)11-4-7-31)37-27(19)41-9-5-8-32(15-41)28(43)38-29(44)39-32/h12-14H,3-11,15-16H2,1-2H3,(H,35,40)(H2,38,39,43,44)/t32-/m1/s1
InChIKeyCEAIMBWQOVNGHT-JGCGQSQUSA-N
XLogP4.77
TPSA128.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.13
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Related Compounds

(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
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
(5R)-9-[7-(5-ethyl-6-fluoro-1H-benzo[f]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]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 175977632
6-chloro-7-(5-chloro-6-methyl-1H-indazol-4-yl)-4-(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]quinazoline
CID 167161945
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
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
6-chloro-7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(2,3,6,7-tetrahydroazepin-1-yl)quinazoline
CID 176991873
2-amino-4-[6-chloro-4-[(5R)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]-8-fluoro-2-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile
CID 169126357
9-chloro-32-fluoro-26-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-18-methyl-16-oxa-5,6,18,23,25,27,31-heptazaheptacyclo[26.3.1.119,23.02,10.03,7.011,13.024,29]tritriaconta-1(31),2,4,7,9,24,26,28(32),29-nonaen-17-one
CID 177330767
(5S)-9-[7-[6-chloro-5-[(1S,2R)-2-methylcyclopropyl]-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-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 176769408
(3R)-1-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(5,6-dimethyl-1H-indazol-4-yl)-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperidin-3-ol
CID 164534932
7-(6-chloro-5-methyl-1H-indazol-4-yl)-4-[(1R,5S)-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]quinazoline
CID 170945696

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc2[nH]ncc2c(-c2c(Cl)cc3c(N4CCC[C@]5(C4)NC(=O)NC5=O)nc(OCC45CCCN4CCC5)nc3c2F)c1C.
What is the InChIKey of (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?
The InChIKey is CEAIMBWQOVNGHT-JGCGQSQUSA-N. The full InChI is InChI=1S/C32H34ClFN8O3/c1-17-12-22-20(14-35-40-22)23(18(17)2)24-21(33)13-19-26(25(24)34)36-30(45-16-31-6-3-10-42(31)11-4-7-31)37-27(19)41-9-5-8-32(15-41)28(43)38-29(44)39-32/h12-14H,3-11,15-16H2,1-2H3,(H,35,40)(H2,38,39,43,44)/t32-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 633.13 g/mol, XLogP of 4.77, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 169126343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).