(1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol

C24H28ClN5O2 — CID 155381689

IUPAC(1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol
SMILESCOCC12CC(n3cc(-n4ncc5cc(Cl)c(N6C[C@H]7CC[C@@H]6C7(C)O)cc54)cn3)(C1)C2
InChIInChI=1S/C24H28ClN5O2/c1-22(31)16-3-4-21(22)28(9-16)20-6-19-15(5-18(20)25)7-27-30(19)17-8-26-29(10-17)24-11-23(12-24,13-24)14-32-2/h5-8,10,16,21,31H,3-4,9,11-14H2,1-2H3/t16-,21-,22?,23?,24?/m1/s1
InChIKeyJXQIDKZGTLXGCW-RYSYCKJSSA-N
MW453.97 g/mol
LogP3.75
Rot. Bonds5

About (1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol

(1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol (PubChem CID 155381689) has the molecular formula C24H28ClN5O2 and a molecular weight of 453.97 g/mol. Its IUPAC name is (1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol.

Molecular Properties

Compound Name(1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol
PubChem CID155381689
Molecular FormulaC24H28ClN5O2
Molecular Weight453.97 g/mol
Exact Mass453.19
IUPAC Name(1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol
SMILESCOCC12CC(n3cc(-n4ncc5cc(Cl)c(N6C[C@H]7CC[C@@H]6C7(C)O)cc54)cn3)(C1)C2
InChIInChI=1S/C24H28ClN5O2/c1-22(31)16-3-4-21(22)28(9-16)20-6-19-15(5-18(20)25)7-27-30(19)17-8-26-29(10-17)24-11-23(12-24,13-24)14-32-2/h5-8,10,16,21,31H,3-4,9,11-14H2,1-2H3/t16-,21-,22?,23?,24?/m1/s1
InChIKeyJXQIDKZGTLXGCW-RYSYCKJSSA-N
XLogP3.75
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol?
The IUPAC name of (1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol (CID 155381689) is (1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol.
What is the SMILES notation for (1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol?
The canonical SMILES for (1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol is COCC12CC(n3cc(-n4ncc5cc(Cl)c(N6C[C@H]7CC[C@@H]6C7(C)O)cc54)cn3)(C1)C2.
What is the InChIKey of (1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol?
The InChIKey is JXQIDKZGTLXGCW-RYSYCKJSSA-N. The full InChI is InChI=1S/C24H28ClN5O2/c1-22(31)16-3-4-21(22)28(9-16)20-6-19-15(5-18(20)25)7-27-30(19)17-8-26-29(10-17)24-11-23(12-24,13-24)14-32-2/h5-8,10,16,21,31H,3-4,9,11-14H2,1-2H3/t16-,21-,22?,23?,24?/m1/s1.
What are the key properties of (1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol?
(1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol has a molecular weight of 453.97 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-[5-chloro-1-[1-[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]pyrazol-4-yl]indazol-6-yl]-7-methyl-2-azabicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 155381689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).