1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine

C74H96N22O6 — CID 135365011

IUPAC1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine
SMILES[H]/N=C1\C=C(N)/C(=N\c2c(OCCCN3CCCCC3)nn3c(C)c(C)ccc23)N(N2/C(=N/c3c(OCCN4CCOCC4)nn4c(C)c(C)ccc34)C(N)=CC(=N\[H])/C2=N\c2c(OCCN3CCOCC3)nn3c(C)c(C)ccc23)\C1=N\c1c(OCCCN2CCCCC2)nn2c(C)c(C)ccc12
InChIInChI=1S/C74H96N22O6/c1-47-17-21-59-63(71(83-91(59)51(47)5)99-37-15-29-87-25-11-9-12-26-87)79-67-55(75)45-56(76)68(80-64-60-22-18-48(2)52(6)92(60)84-72(64)100-38-16-30-88-27-13-10-14-28-88)95(67)96-69(81-65-61-23-19-49(3)53(7)93(61)85-73(65)101-43-35-89-31-39-97-40-32-89)57(77)46-58(78)70(96)82-66-62-24-20-50(4)54(8)94(62)86-74(66)102-44-36-90-33-41-98-42-34-90/h17-24,45-46,75,77H,9-16,25-44,76,78H2,1-8H3/b75-55+,77-57+,79-67+,80-68+,81-69+,82-70+
InChIKeyCJCQNRHXZBMWNN-HHVSDTMESA-N
MW1389.73 g/mol
LogP9.17
Rot. Bonds23

About 1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine

1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine (PubChem CID 135365011) has the molecular formula C74H96N22O6 and a molecular weight of 1389.73 g/mol. Its IUPAC name is 1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine.

Molecular Properties

Compound Name1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine
PubChem CID135365011
Molecular FormulaC74H96N22O6
Molecular Weight1389.73 g/mol
Exact Mass1388.79
IUPAC Name1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine
SMILES[H]/N=C1\C=C(N)/C(=N\c2c(OCCCN3CCCCC3)nn3c(C)c(C)ccc23)N(N2/C(=N/c3c(OCCN4CCOCC4)nn4c(C)c(C)ccc34)C(N)=CC(=N\[H])/C2=N\c2c(OCCN3CCOCC3)nn3c(C)c(C)ccc23)\C1=N\c1c(OCCCN2CCCCC2)nn2c(C)c(C)ccc12
InChIInChI=1S/C74H96N22O6/c1-47-17-21-59-63(71(83-91(59)51(47)5)99-37-15-29-87-25-11-9-12-26-87)79-67-55(75)45-56(76)68(80-64-60-22-18-48(2)52(6)92(60)84-72(64)100-38-16-30-88-27-13-10-14-28-88)95(67)96-69(81-65-61-23-19-49(3)53(7)93(61)85-73(65)101-43-35-89-31-39-97-40-32-89)57(77)46-58(78)70(96)82-66-62-24-20-50(4)54(8)94(62)86-74(66)102-44-36-90-33-41-98-42-34-90/h17-24,45-46,75,77H,9-16,25-44,76,78H2,1-8H3/b75-55+,77-57+,79-67+,80-68+,81-69+,82-70+
InChIKeyCJCQNRHXZBMWNN-HHVSDTMESA-N
XLogP9.17
TPSA293.20 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001389.73
LogP ≤ 59.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine?
The IUPAC name of 1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine (CID 135365011) is 1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine.
What is the SMILES notation for 1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine?
The canonical SMILES for 1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine is [H]/N=C1\C=C(N)/C(=N\c2c(OCCCN3CCCCC3)nn3c(C)c(C)ccc23)N(N2/C(=N/c3c(OCCN4CCOCC4)nn4c(C)c(C)ccc34)C(N)=CC(=N\[H])/C2=N\c2c(OCCN3CCOCC3)nn3c(C)c(C)ccc23)\C1=N\c1c(OCCCN2CCCCC2)nn2c(C)c(C)ccc12.
What is the InChIKey of 1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine?
The InChIKey is CJCQNRHXZBMWNN-HHVSDTMESA-N. The full InChI is InChI=1S/C74H96N22O6/c1-47-17-21-59-63(71(83-91(59)51(47)5)99-37-15-29-87-25-11-9-12-26-87)79-67-55(75)45-56(76)68(80-64-60-22-18-48(2)52(6)92(60)84-72(64)100-38-16-30-88-27-13-10-14-28-88)95(67)96-69(81-65-61-23-19-49(3)53(7)93(61)85-73(65)101-43-35-89-31-39-97-40-32-89)57(77)46-58(78)70(96)82-66-62-24-20-50(4)54(8)94(62)86-74(66)102-44-36-90-33-41-98-42-34-90/h17-24,45-46,75,77H,9-16,25-44,76,78H2,1-8H3/b75-55+,77-57+,79-67+,80-68+,81-69+,82-70+.
What are the key properties of 1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine?
1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine has a molecular weight of 1389.73 g/mol, XLogP of 9.17, 23 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-2,6-bis[[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-imino-1-pyridinyl]-2,6-bis[[6,7-dimethyl-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino]-5-iminopyridin-3-amine is sourced from PubChem (CID 135365011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).