butane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H35N7O3 — CID 166537276

IUPACbutane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1cc2nn(C)cc2cc1NC(=O)c1cnn2cc(N3CC4CC3CO4)cnc12.CCCC
InChIInChI=1S/C23H25N7O3.C4H10/c1-13(2)33-21-6-19-14(9-28(3)27-19)4-20(21)26-23(31)18-8-25-30-10-16(7-24-22(18)30)29-11-17-5-15(29)12-32-17;1-3-4-2/h4,6-10,13,15,17H,5,11-12H2,1-3H3,(H,26,31);3-4H2,1-2H3
InChIKeyDMUGEGVODPWUQG-UHFFFAOYSA-N
MW505.62 g/mol
LogP4.44
Rot. Bonds6

About butane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

butane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166537276) has the molecular formula C27H35N7O3 and a molecular weight of 505.62 g/mol. Its IUPAC name is butane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Namebutane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166537276
Molecular FormulaC27H35N7O3
Molecular Weight505.62 g/mol
Exact Mass505.28
IUPAC Namebutane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1cc2nn(C)cc2cc1NC(=O)c1cnn2cc(N3CC4CC3CO4)cnc12.CCCC
InChIInChI=1S/C23H25N7O3.C4H10/c1-13(2)33-21-6-19-14(9-28(3)27-19)4-20(21)26-23(31)18-8-25-30-10-16(7-24-22(18)30)29-11-17-5-15(29)12-32-17;1-3-4-2/h4,6-10,13,15,17H,5,11-12H2,1-3H3,(H,26,31);3-4H2,1-2H3
InChIKeyDMUGEGVODPWUQG-UHFFFAOYSA-N
XLogP4.44
TPSA98.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze butane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[6-(difluoromethyl)-2-methylindazol-5-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;propane
CID 166537072
ethane;N-(6-methoxy-2-methylindazol-5-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166537279
N-(2-piperidin-4-yl-6-propan-2-yloxyindazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536866
N-[6-(cyclopropylmethoxy)-2-methylindazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536715
N-[3-(difluoromethyl)-1-iodopyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 174251477
N-(6-methoxy-2-methylindazol-5-yl)butanamide
CID 177040476
N-[2-(4-iodocyclohexyl)-6-methoxyindazol-5-yl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyridine-2-carboxamide
CID 164567866
ethyl 4-[4-[3-(difluoromethyl)-4-[[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazol-1-yl]piperidin-1-yl]benzoate
CID 146599460
N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)phenyl]pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146598582
N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol
CID 176684961
N-[1-cyclohexyl-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]-5-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 169120801
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 butane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of butane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166537276) is butane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for butane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for butane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Oc1cc2nn(C)cc2cc1NC(=O)c1cnn2cc(N3CC4CC3CO4)cnc12.CCCC.
What is the InChIKey of butane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DMUGEGVODPWUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3.C4H10/c1-13(2)33-21-6-19-14(9-28(3)27-19)4-20(21)26-23(31)18-8-25-30-10-16(7-24-22(18)30)29-11-17-5-15(29)12-32-17;1-3-4-2/h4,6-10,13,15,17H,5,11-12H2,1-3H3,(H,26,31);3-4H2,1-2H3.
What are the key properties of butane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
butane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 505.62 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-(2-methyl-6-propan-2-yloxyindazol-5-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166537276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).