lithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride

C66H72AlCl2F2LiN14O — CID 157467166

IUPAClithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(Cl)c3[nH]ccc13)CN(c1ncc(C(=O)N3CCCC3)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(Cl)c3[nH]ccc13)CN(c1ncc(CN3CCCC3)cn1)CC2.[AlH3].[H-].[Li+]
InChIInChI=1S/C33H33ClFN7O.C33H35ClFN7.Al.Li.4H/c1-3-20-8-7-9-21(4-2)30(20)42-31(28-23-10-12-36-29(23)25(34)16-26(28)35)24-19-41(15-11-27(24)39-42)33-37-17-22(18-38-33)32(43)40-13-5-6-14-40;1-3-22-8-7-9-23(4-2)31(22)42-32(29-24-10-12-36-30(24)26(34)16-27(29)35)25-20-41(15-11-28(25)39-42)33-37-17-21(18-38-33)19-40-13-5-6-14-40;;;;;;/h7-10,12,16-18,36H,3-6,11,13-15,19H2,1-2H3;7-10,12,16-18,36H,3-6,11,13-15,19-20H2,1-2H3;;;;;;/q;;;+1;;;;-1
InChIKeyMRUVCJVBUQWJFT-UHFFFAOYSA-N
MW1220.22 g/mol
LogP9.35
Rot. Bonds13

About lithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride

lithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride (PubChem CID 157467166) has the molecular formula C66H72AlCl2F2LiN14O and a molecular weight of 1220.22 g/mol. Its IUPAC name is lithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride.

Molecular Properties

Compound Namelithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride
PubChem CID157467166
Molecular FormulaC66H72AlCl2F2LiN14O
Molecular Weight1220.22 g/mol
Exact Mass1218.53
IUPAC Namelithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(Cl)c3[nH]ccc13)CN(c1ncc(C(=O)N3CCCC3)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(Cl)c3[nH]ccc13)CN(c1ncc(CN3CCCC3)cn1)CC2.[AlH3].[H-].[Li+]
InChIInChI=1S/C33H33ClFN7O.C33H35ClFN7.Al.Li.4H/c1-3-20-8-7-9-21(4-2)30(20)42-31(28-23-10-12-36-29(23)25(34)16-26(28)35)24-19-41(15-11-27(24)39-42)33-37-17-22(18-38-33)32(43)40-13-5-6-14-40;1-3-22-8-7-9-23(4-2)31(22)42-32(29-24-10-12-36-30(24)26(34)16-27(29)35)25-20-41(15-11-28(25)39-42)33-37-17-21(18-38-33)19-40-13-5-6-14-40;;;;;;/h7-10,12,16-18,36H,3-6,11,13-15,19H2,1-2H3;7-10,12,16-18,36H,3-6,11,13-15,19-20H2,1-2H3;;;;;;/q;;;+1;;;;-1
InChIKeyMRUVCJVBUQWJFT-UHFFFAOYSA-N
XLogP9.35
TPSA148.81 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001220.22
LogP ≤ 59.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze lithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride?
The IUPAC name of lithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride (CID 157467166) is lithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride.
What is the SMILES notation for lithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride?
The canonical SMILES for lithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride is CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(Cl)c3[nH]ccc13)CN(c1ncc(C(=O)N3CCCC3)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(Cl)c3[nH]ccc13)CN(c1ncc(CN3CCCC3)cn1)CC2.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride?
The InChIKey is MRUVCJVBUQWJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33ClFN7O.C33H35ClFN7.Al.Li.4H/c1-3-20-8-7-9-21(4-2)30(20)42-31(28-23-10-12-36-29(23)25(34)16-26(28)35)24-19-41(15-11-27(24)39-42)33-37-17-22(18-38-33)32(43)40-13-5-6-14-40;1-3-22-8-7-9-23(4-2)31(22)42-32(29-24-10-12-36-30(24)26(34)16-27(29)35)25-20-41(15-11-28(25)39-42)33-37-17-21(18-38-33)19-40-13-5-6-14-40;;;;;;/h7-10,12,16-18,36H,3-6,11,13-15,19H2,1-2H3;7-10,12,16-18,36H,3-6,11,13-15,19-20H2,1-2H3;;;;;;/q;;;+1;;;;-1.
What are the key properties of lithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride?
lithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride has a molecular weight of 1220.22 g/mol, XLogP of 9.35, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;[2-[3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone;3-(7-chloro-5-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydride is sourced from PubChem (CID 157467166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).