1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine

C56H60N18O2 — CID 90100862

IUPAC1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine
SMILESc1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)cc(N(c2ccc(N3CCOCC3)nc2)N(c2ccc(N3CCOCC3)nc2)c2cc(-c3nc(N4CCNCC4)c4c(C5CC5)cncc4n3)ccn2)n1
InChIInChI=1S/C56H60N18O2/c1-2-37(1)43-33-59-35-45-51(43)55(71-17-13-57-14-18-71)67-53(65-45)39-9-11-61-49(29-39)73(41-5-7-47(63-31-41)69-21-25-75-26-22-69)74(42-6-8-48(64-32-42)70-23-27-76-28-24-70)50-30-40(10-12-62-50)54-66-46-36-60-34-44(38-3-4-38)52(46)56(68-54)72-19-15-58-16-20-72/h5-12,29-38,57-58H,1-4,13-28H2
InChIKeyXDAPRGBPMPQTKW-UHFFFAOYSA-N
MW1017.22 g/mol
LogP6.42
Rot. Bonds13

About 1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine

1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine (PubChem CID 90100862) has the molecular formula C56H60N18O2 and a molecular weight of 1017.22 g/mol. Its IUPAC name is 1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine.

Molecular Properties

Compound Name1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine
PubChem CID90100862
Molecular FormulaC56H60N18O2
Molecular Weight1017.22 g/mol
Exact Mass1016.51
IUPAC Name1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine
SMILESc1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)cc(N(c2ccc(N3CCOCC3)nc2)N(c2ccc(N3CCOCC3)nc2)c2cc(-c3nc(N4CCNCC4)c4c(C5CC5)cncc4n3)ccn2)n1
InChIInChI=1S/C56H60N18O2/c1-2-37(1)43-33-59-35-45-51(43)55(71-17-13-57-14-18-71)67-53(65-45)39-9-11-61-49(29-39)73(41-5-7-47(63-31-41)69-21-25-75-26-22-69)74(42-6-8-48(64-32-42)70-23-27-76-28-24-70)50-30-40(10-12-62-50)54-66-46-36-60-34-44(38-3-4-38)52(46)56(68-54)72-19-15-58-16-20-72/h5-12,29-38,57-58H,1-4,13-28H2
InChIKeyXDAPRGBPMPQTKW-UHFFFAOYSA-N
XLogP6.42
TPSA190.86 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001017.22
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine?
The IUPAC name of 1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine (CID 90100862) is 1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine.
What is the SMILES notation for 1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine?
The canonical SMILES for 1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine is c1cc(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)cc(N(c2ccc(N3CCOCC3)nc2)N(c2ccc(N3CCOCC3)nc2)c2cc(-c3nc(N4CCNCC4)c4c(C5CC5)cncc4n3)ccn2)n1.
What is the InChIKey of 1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine?
The InChIKey is XDAPRGBPMPQTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H60N18O2/c1-2-37(1)43-33-59-35-45-51(43)55(71-17-13-57-14-18-71)67-53(65-45)39-9-11-61-49(29-39)73(41-5-7-47(63-31-41)69-21-25-75-26-22-69)74(42-6-8-48(64-32-42)70-23-27-76-28-24-70)50-30-40(10-12-62-50)54-66-46-36-60-34-44(38-3-4-38)52(46)56(68-54)72-19-15-58-16-20-72/h5-12,29-38,57-58H,1-4,13-28H2.
What are the key properties of 1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine?
1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine has a molecular weight of 1017.22 g/mol, XLogP of 6.42, 13 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine is sourced from PubChem (CID 90100862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).