1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

C73H81N23O3 — CID 131991273

IUPAC1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc4c(CC(C)c5cnnc(Nc6ccc7ncc(-c8cnn(CCC(C)(C)O)c8)cc7n6)c5)cc(Nc5cc(C(C)Cc6cc(Nc7cc(C(C)C)cnn7)nc7cc(-c8cnn(C9CCN(CCO)CC9)c8)cnc67)cnn5)nc4c3)cn2)CC1
InChIInChI=1S/C73H81N23O3/c1-44(2)50-29-68(89-77-35-50)87-66-27-48(71-63(84-66)25-54(33-75-71)57-39-81-95(42-57)59-10-15-92(16-11-59)20-21-97)23-46(4)52-31-70(91-79-37-52)88-67-28-49(72-64(85-67)26-55(34-76-72)58-40-82-96(43-58)60-12-17-93(18-13-60)47(5)98)22-45(3)51-30-69(90-78-36-51)86-65-9-8-61-62(83-65)24-53(32-74-61)56-38-80-94(41-56)19-14-73(6,7)99/h8-9,24-46,59-60,97,99H,10-23H2,1-7H3,(H,83,86,90)(H,84,87,89)(H,85,88,91)
InChIKeyPCDNFLNLLRLHCJ-UHFFFAOYSA-N
MW1328.61 g/mol
LogP11.50
Rot. Bonds23

About 1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 131991273) has the molecular formula C73H81N23O3 and a molecular weight of 1328.61 g/mol. Its IUPAC name is 1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID131991273
Molecular FormulaC73H81N23O3
Molecular Weight1328.61 g/mol
Exact Mass1327.69
IUPAC Name1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc4c(CC(C)c5cnnc(Nc6ccc7ncc(-c8cnn(CCC(C)(C)O)c8)cc7n6)c5)cc(Nc5cc(C(C)Cc6cc(Nc7cc(C(C)C)cnn7)nc7cc(-c8cnn(C9CCN(CCO)CC9)c8)cnc67)cnn5)nc4c3)cn2)CC1
InChIInChI=1S/C73H81N23O3/c1-44(2)50-29-68(89-77-35-50)87-66-27-48(71-63(84-66)25-54(33-75-71)57-39-81-95(42-57)59-10-15-92(16-11-59)20-21-97)23-46(4)52-31-70(91-79-37-52)88-67-28-49(72-64(85-67)26-55(34-76-72)58-40-82-96(43-58)60-12-17-93(18-13-60)47(5)98)22-45(3)51-30-69(90-78-36-51)86-65-9-8-61-62(83-65)24-53(32-74-61)56-38-80-94(41-56)19-14-73(6,7)99/h8-9,24-46,59-60,97,99H,10-23H2,1-7H3,(H,83,86,90)(H,84,87,89)(H,85,88,91)
InChIKeyPCDNFLNLLRLHCJ-UHFFFAOYSA-N
XLogP11.50
TPSA308.24 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001328.61
LogP ≤ 511.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 131991273) is 1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc4c(CC(C)c5cnnc(Nc6ccc7ncc(-c8cnn(CCC(C)(C)O)c8)cc7n6)c5)cc(Nc5cc(C(C)Cc6cc(Nc7cc(C(C)C)cnn7)nc7cc(-c8cnn(C9CCN(CCO)CC9)c8)cnc67)cnn5)nc4c3)cn2)CC1.
What is the InChIKey of 1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is PCDNFLNLLRLHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H81N23O3/c1-44(2)50-29-68(89-77-35-50)87-66-27-48(71-63(84-66)25-54(33-75-71)57-39-81-95(42-57)59-10-15-92(16-11-59)20-21-97)23-46(4)52-31-70(91-79-37-52)88-67-28-49(72-64(85-67)26-55(34-76-72)58-40-82-96(43-58)60-12-17-93(18-13-60)47(5)98)22-45(3)51-30-69(90-78-36-51)86-65-9-8-61-62(83-65)24-53(32-74-61)56-38-80-94(41-56)19-14-73(6,7)99/h8-9,24-46,59-60,97,99H,10-23H2,1-7H3,(H,83,86,90)(H,84,87,89)(H,85,88,91).
What are the key properties of 1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 1328.61 g/mol, XLogP of 11.50, 23 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[6-[[5-[1-[7-[1-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazol-4-yl]-2-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-4-yl]propan-2-yl]pyridazin-3-yl]amino]-8-[2-[6-[[7-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]pyridazin-4-yl]propyl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 131991273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).