3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine

C53H45N15O3 — CID 138482980

IUPAC3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccn2c(C)c(C3CC3c3cnn4c(COc5ccn6cc(C7CC7c7cnn8c(COc9ccn%10cc(C%11CC%11c%11nn(C)c%12cccnc%11%12)nc%10c9)ccnc78)nc6c5)ccnc34)nc2c1
InChIInChI=1S/C53H45N15O3/c1-29-49(61-48-17-32(69-3)10-16-66(29)48)39-21-36(39)42-24-58-68-31(7-13-56-53(42)68)28-71-33-8-14-64-25-43(59-46(64)18-33)37-20-35(37)41-23-57-67-30(6-12-55-52(41)67)27-70-34-9-15-65-26-44(60-47(65)19-34)38-22-40(38)50-51-45(63(2)62-50)5-4-11-54-51/h4-19,23-26,35-40H,20-22,27-28H2,1-3H3
InChIKeyDCLAIDHJXBJGQM-UHFFFAOYSA-N
MW940.04 g/mol
LogP8.29
Rot. Bonds13

About 3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine

3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 138482980) has the molecular formula C53H45N15O3 and a molecular weight of 940.04 g/mol. Its IUPAC name is 3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine
PubChem CID138482980
Molecular FormulaC53H45N15O3
Molecular Weight940.04 g/mol
Exact Mass939.38
IUPAC Name3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccn2c(C)c(C3CC3c3cnn4c(COc5ccn6cc(C7CC7c7cnn8c(COc9ccn%10cc(C%11CC%11c%11nn(C)c%12cccnc%11%12)nc%10c9)ccnc78)nc6c5)ccnc34)nc2c1
InChIInChI=1S/C53H45N15O3/c1-29-49(61-48-17-32(69-3)10-16-66(29)48)39-21-36(39)42-24-58-68-31(7-13-56-53(42)68)28-71-33-8-14-64-25-43(59-46(64)18-33)37-20-35(37)41-23-57-67-30(6-12-55-52(41)67)27-70-34-9-15-65-26-44(60-47(65)19-34)38-22-40(38)50-51-45(63(2)62-50)5-4-11-54-51/h4-19,23-26,35-40H,20-22,27-28H2,1-3H3
InChIKeyDCLAIDHJXBJGQM-UHFFFAOYSA-N
XLogP8.29
TPSA170.68 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500940.04
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine (CID 138482980) is 3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine is COc1ccn2c(C)c(C3CC3c3cnn4c(COc5ccn6cc(C7CC7c7cnn8c(COc9ccn%10cc(C%11CC%11c%11nn(C)c%12cccnc%11%12)nc%10c9)ccnc78)nc6c5)ccnc34)nc2c1.
What is the InChIKey of 3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is DCLAIDHJXBJGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H45N15O3/c1-29-49(61-48-17-32(69-3)10-16-66(29)48)39-21-36(39)42-24-58-68-31(7-13-56-53(42)68)28-71-33-8-14-64-25-43(59-46(64)18-33)37-20-35(37)41-23-57-67-30(6-12-55-52(41)67)27-70-34-9-15-65-26-44(60-47(65)19-34)38-22-40(38)50-51-45(63(2)62-50)5-4-11-54-51/h4-19,23-26,35-40H,20-22,27-28H2,1-3H3.
What are the key properties of 3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine?
3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 940.04 g/mol, XLogP of 8.29, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-7-[[2-[2-[7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 138482980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).