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

C31H39N7O4 — CID 163396527

IUPACtert-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
SMILESC[C@@H]1CC2(CC[C@H]1n1cc3cc(C(=O)Nc4cnn5cccnc45)c(OC4CC4)cc3n1)CN(C(=O)OC(C)(C)C)C2.[H][H]
InChIInChI=1S/C31H37N7O4.H2/c1-19-14-31(17-36(18-31)29(40)42-30(2,3)4)9-8-25(19)38-16-20-12-22(26(13-23(20)35-38)41-21-6-7-21)28(39)34-24-15-33-37-11-5-10-32-27(24)37;/h5,10-13,15-16,19,21,25H,6-9,14,17-18H2,1-4H3,(H,34,39);1H/t19-,25-;/m1./s1
InChIKeyAPCHUAVSNZOTCP-HOUTYYGFSA-N
MW573.70 g/mol
LogP5.72
Rot. Bonds5

About 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

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 (PubChem CID 163396527) has the molecular formula C31H39N7O4 and a molecular weight of 573.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID163396527
Molecular FormulaC31H39N7O4
Molecular Weight573.70 g/mol
Exact Mass573.31
IUPAC Nametert-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
SMILESC[C@@H]1CC2(CC[C@H]1n1cc3cc(C(=O)Nc4cnn5cccnc45)c(OC4CC4)cc3n1)CN(C(=O)OC(C)(C)C)C2.[H][H]
InChIInChI=1S/C31H37N7O4.H2/c1-19-14-31(17-36(18-31)29(40)42-30(2,3)4)9-8-25(19)38-16-20-12-22(26(13-23(20)35-38)41-21-6-7-21)28(39)34-24-15-33-37-11-5-10-32-27(24)37;/h5,10-13,15-16,19,21,25H,6-9,14,17-18H2,1-4H3,(H,34,39);1H/t19-,25-;/m1./s1
InChIKeyAPCHUAVSNZOTCP-HOUTYYGFSA-N
XLogP5.72
TPSA115.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
CID 163396571
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
2-[(1S,2S,4S)-4-[acetyl(methyl)amino]-2-methylcyclohexyl]-6-methoxy-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
CID 171034192
2-[(5R,7R,8R)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide;2-[(5R,7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 165101592
2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 163396381
[(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
N-[6-(cyclopropylmethoxy)-2-methylindazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536715
N-[6-(difluoromethyl)-2-(4-methylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155752308
N-(2-piperidin-4-yl-6-propan-2-yloxyindazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536866
N-[6-(cyclopropylmethoxy)-2-(4-formylcyclohexyl)indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167251117

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1CC2(CC[C@H]1n1cc3cc(C(=O)Nc4cnn5cccnc45)c(OC4CC4)cc3n1)CN(C(=O)OC(C)(C)C)C2.[H][H].
What is the InChIKey of 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?
The InChIKey is APCHUAVSNZOTCP-HOUTYYGFSA-N. The full InChI is InChI=1S/C31H37N7O4.H2/c1-19-14-31(17-36(18-31)29(40)42-30(2,3)4)9-8-25(19)38-16-20-12-22(26(13-23(20)35-38)41-21-6-7-21)28(39)34-24-15-33-37-11-5-10-32-27(24)37;/h5,10-13,15-16,19,21,25H,6-9,14,17-18H2,1-4H3,(H,34,39);1H/t19-,25-;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 573.70 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163396527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).