1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine

C56H64N18O6 — CID 135365084

IUPAC1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine
SMILES[H]/N=C1\C=C(N)/C(=N\c2c(OC(C)(C)C)nn3ccccc23)N(N2/C(=N/c3c(OCCOC(C)C)nn4ccccc34)C(=N)C=C(N)/C2=N\c2c(OCCOC(C)C)nn3ccccc23)\C1=N\c1c(OC(C)(C)C)nn2ccccc12
InChIInChI=1S/C56H64N18O6/c1-33(2)75-27-29-77-51-43(39-19-11-15-23-69(39)65-51)61-47-35(57)31-36(58)48(62-44-40-20-12-16-24-70(40)66-52(44)78-30-28-76-34(3)4)73(47)74-49(63-45-41-21-13-17-25-71(41)67-53(45)79-55(5,6)7)37(59)32-38(60)50(74)64-46-42-22-14-18-26-72(42)68-54(46)80-56(8,9)10/h11-26,31-34,57,59H,27-30,58,60H2,1-10H3/b57-35?,59-37+,61-47+,62-48+,63-49+,64-50+
InChIKeyRVRYNOLGHZSMAR-GEEMXKDWSA-N
MW1085.25 g/mol
LogP8.73
Rot. Bonds17

About 1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine

1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine (PubChem CID 135365084) has the molecular formula C56H64N18O6 and a molecular weight of 1085.25 g/mol. Its IUPAC name is 1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine.

Molecular Properties

Compound Name1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine
PubChem CID135365084
Molecular FormulaC56H64N18O6
Molecular Weight1085.25 g/mol
Exact Mass1084.53
IUPAC Name1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine
SMILES[H]/N=C1\C=C(N)/C(=N\c2c(OC(C)(C)C)nn3ccccc23)N(N2/C(=N/c3c(OCCOC(C)C)nn4ccccc34)C(=N)C=C(N)/C2=N\c2c(OCCOC(C)C)nn3ccccc23)\C1=N\c1c(OC(C)(C)C)nn2ccccc12
InChIInChI=1S/C56H64N18O6/c1-33(2)75-27-29-77-51-43(39-19-11-15-23-69(39)65-51)61-47-35(57)31-36(58)48(62-44-40-20-12-16-24-70(40)66-52(44)78-30-28-76-34(3)4)73(47)74-49(63-45-41-21-13-17-25-71(41)67-53(45)79-55(5,6)7)37(59)32-38(60)50(74)64-46-42-22-14-18-26-72(42)68-54(46)80-56(8,9)10/h11-26,31-34,57,59H,27-30,58,60H2,1-10H3/b57-35?,59-37+,61-47+,62-48+,63-49+,64-50+
InChIKeyRVRYNOLGHZSMAR-GEEMXKDWSA-N
XLogP8.73
TPSA280.24 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001085.25
LogP ≤ 58.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine?
The IUPAC name of 1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine (CID 135365084) is 1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine.
What is the SMILES notation for 1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine?
The canonical SMILES for 1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine is [H]/N=C1\C=C(N)/C(=N\c2c(OC(C)(C)C)nn3ccccc23)N(N2/C(=N/c3c(OCCOC(C)C)nn4ccccc34)C(=N)C=C(N)/C2=N\c2c(OCCOC(C)C)nn3ccccc23)\C1=N\c1c(OC(C)(C)C)nn2ccccc12.
What is the InChIKey of 1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine?
The InChIKey is RVRYNOLGHZSMAR-GEEMXKDWSA-N. The full InChI is InChI=1S/C56H64N18O6/c1-33(2)75-27-29-77-51-43(39-19-11-15-23-69(39)65-51)61-47-35(57)31-36(58)48(62-44-40-20-12-16-24-70(40)66-52(44)78-30-28-76-34(3)4)73(47)74-49(63-45-41-21-13-17-25-71(41)67-53(45)79-55(5,6)7)37(59)32-38(60)50(74)64-46-42-22-14-18-26-72(42)68-54(46)80-56(8,9)10/h11-26,31-34,57,59H,27-30,58,60H2,1-10H3/b57-35?,59-37+,61-47+,62-48+,63-49+,64-50+.
What are the key properties of 1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine?
1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine has a molecular weight of 1085.25 g/mol, XLogP of 8.73, 17 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-imino-2,6-bis[[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino]-1-pyridinyl]-5-imino-2,6-bis[[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]pyridin-3-amine is sourced from PubChem (CID 135365084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).