tert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate

C32H39FN8O4 — CID 170740909

IUPACtert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(F)(CN2CCC(n3cc4cc(C(=O)Nc5cnn6cccnc56)c(OCC5CC5)cc4n3)CC2)C1
InChIInChI=1S/C32H39FN8O4/c1-31(2,3)45-30(43)39-19-32(33,20-39)18-38-11-7-23(8-12-38)41-16-22-13-24(27(14-25(22)37-41)44-17-21-5-6-21)29(42)36-26-15-35-40-10-4-9-34-28(26)40/h4,9-10,13-16,21,23H,5-8,11-12,17-20H2,1-3H3,(H,36,42)
InChIKeyKOYWJAMRKNSAKO-UHFFFAOYSA-N
MW618.71 g/mol
LogP4.72
Rot. Bonds8

About tert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate

tert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate (PubChem CID 170740909) has the molecular formula C32H39FN8O4 and a molecular weight of 618.71 g/mol. Its IUPAC name is tert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate
PubChem CID170740909
Molecular FormulaC32H39FN8O4
Molecular Weight618.71 g/mol
Exact Mass618.31
IUPAC Nametert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(F)(CN2CCC(n3cc4cc(C(=O)Nc5cnn6cccnc56)c(OCC5CC5)cc4n3)CC2)C1
InChIInChI=1S/C32H39FN8O4/c1-31(2,3)45-30(43)39-19-32(33,20-39)18-38-11-7-23(8-12-38)41-16-22-13-24(27(14-25(22)37-41)44-17-21-5-6-21)29(42)36-26-15-35-40-10-4-9-34-28(26)40/h4,9-10,13-16,21,23H,5-8,11-12,17-20H2,1-3H3,(H,36,42)
InChIKeyKOYWJAMRKNSAKO-UHFFFAOYSA-N
XLogP4.72
TPSA119.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.71
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate with MolForge

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Related Compounds

6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
CID 170740976
tert-butyl (6R,7R)-7-[6-cyclopropyloxy-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate;molecular hydrogen
CID 163396527
N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-hydroxy-1,3-dihydroisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536618
N-[6-(cyclopropylmethoxy)-2-(4-formylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167251117
N-[6-(cyclopropylmethoxy)-2-methylindazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536715
[(2R)-1-[[4-[6-methoxy-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]methylamino]-1-oxopropan-2-yl] acetate
CID 163396260
2-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
CID 171034189
2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
CID 163396346
6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
CID 163396571
N-[6-(cyclopropylmethoxy)-2-[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 170740894
N-[6-(cyclopropylmethoxy)-2-[1-[2-[6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxyethyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 174185046
N-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155752308

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate (CID 170740909) is tert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(F)(CN2CCC(n3cc4cc(C(=O)Nc5cnn6cccnc56)c(OCC5CC5)cc4n3)CC2)C1.
What is the InChIKey of tert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate?
The InChIKey is KOYWJAMRKNSAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN8O4/c1-31(2,3)45-30(43)39-19-32(33,20-39)18-38-11-7-23(8-12-38)41-16-22-13-24(27(14-25(22)37-41)44-17-21-5-6-21)29(42)36-26-15-35-40-10-4-9-34-28(26)40/h4,9-10,13-16,21,23H,5-8,11-12,17-20H2,1-3H3,(H,36,42).
What are the key properties of tert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate?
tert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate has a molecular weight of 618.71 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[4-[6-(cyclopropylmethoxy)-5-(pyrazolo[1,5-a]pyrimidin-3-ylcarbamoyl)indazol-2-yl]piperidin-1-yl]methyl]-3-fluoroazetidine-1-carboxylate is sourced from PubChem (CID 170740909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).