N-carbazol-9-yl-3-[8-[4-[carbazol-9-yl(pyridin-4-yl)amino]butyl]-8-azaspiro[4.5]decan-4-yl]-N-pyridin-4-ylpropanamide

C50H51N7O — CID 70367381

IUPACN-carbazol-9-yl-3-[8-[4-[carbazol-9-yl(pyridin-4-yl)amino]butyl]-8-azaspiro[4.5]decan-4-yl]-N-pyridin-4-ylpropanamide
SMILESO=C(CCC1CCCC12CCN(CCCCN(c1ccncc1)n1c3ccccc3c3ccccc31)CC2)N(c1ccncc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C50H51N7O/c58-49(55(40-25-32-52-33-26-40)57-47-19-7-3-15-43(47)44-16-4-8-20-48(44)57)22-21-38-12-11-27-50(38)28-36-53(37-29-50)34-9-10-35-54(39-23-30-51-31-24-39)56-45-17-5-1-13-41(45)42-14-2-6-18-46(42)56/h1-8,13-20,23-26,30-33,38H,9-12,21-22,27-29,34-37H2
InChIKeyGBBDOPWWHKVIAG-UHFFFAOYSA-N
MW766.01 g/mol
LogP10.90
Rot. Bonds12

About N-carbazol-9-yl-3-[8-[4-[carbazol-9-yl(pyridin-4-yl)amino]butyl]-8-azaspiro[4.5]decan-4-yl]-N-pyridin-4-ylpropanamide

N-carbazol-9-yl-3-[8-[4-[carbazol-9-yl(pyridin-4-yl)amino]butyl]-8-azaspiro[4.5]decan-4-yl]-N-pyridin-4-ylpropanamide (PubChem CID 70367381) has the molecular formula C50H51N7O and a molecular weight of 766.01 g/mol. Its IUPAC name is N-carbazol-9-yl-3-[8-[4-[carbazol-9-yl(pyridin-4-yl)amino]butyl]-8-azaspiro[4.5]decan-4-yl]-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-carbazol-9-yl-3-[8-[4-[carbazol-9-yl(pyridin-4-yl)amino]butyl]-8-azaspiro[4.5]decan-4-yl]-N-pyridin-4-ylpropanamide
PubChem CID70367381
Molecular FormulaC50H51N7O
Molecular Weight766.01 g/mol
Exact Mass765.42
IUPAC NameN-carbazol-9-yl-3-[8-[4-[carbazol-9-yl(pyridin-4-yl)amino]butyl]-8-azaspiro[4.5]decan-4-yl]-N-pyridin-4-ylpropanamide
SMILESO=C(CCC1CCCC12CCN(CCCCN(c1ccncc1)n1c3ccccc3c3ccccc31)CC2)N(c1ccncc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C50H51N7O/c58-49(55(40-25-32-52-33-26-40)57-47-19-7-3-15-43(47)44-16-4-8-20-48(44)57)22-21-38-12-11-27-50(38)28-36-53(37-29-50)34-9-10-35-54(39-23-30-51-31-24-39)56-45-17-5-1-13-41(45)42-14-2-6-18-46(42)56/h1-8,13-20,23-26,30-33,38H,9-12,21-22,27-29,34-37H2
InChIKeyGBBDOPWWHKVIAG-UHFFFAOYSA-N
XLogP10.90
TPSA62.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.01
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-carbazol-9-yl-3-[8-[4-[carbazol-9-yl(pyridin-4-yl)amino]butyl]-8-azaspiro[4.5]decan-4-yl]-N-pyridin-4-ylpropanamide?
The IUPAC name of N-carbazol-9-yl-3-[8-[4-[carbazol-9-yl(pyridin-4-yl)amino]butyl]-8-azaspiro[4.5]decan-4-yl]-N-pyridin-4-ylpropanamide (CID 70367381) is N-carbazol-9-yl-3-[8-[4-[carbazol-9-yl(pyridin-4-yl)amino]butyl]-8-azaspiro[4.5]decan-4-yl]-N-pyridin-4-ylpropanamide.
What is the SMILES notation for N-carbazol-9-yl-3-[8-[4-[carbazol-9-yl(pyridin-4-yl)amino]butyl]-8-azaspiro[4.5]decan-4-yl]-N-pyridin-4-ylpropanamide?
The canonical SMILES for N-carbazol-9-yl-3-[8-[4-[carbazol-9-yl(pyridin-4-yl)amino]butyl]-8-azaspiro[4.5]decan-4-yl]-N-pyridin-4-ylpropanamide is O=C(CCC1CCCC12CCN(CCCCN(c1ccncc1)n1c3ccccc3c3ccccc31)CC2)N(c1ccncc1)n1c2ccccc2c2ccccc21.
What is the InChIKey of N-carbazol-9-yl-3-[8-[4-[carbazol-9-yl(pyridin-4-yl)amino]butyl]-8-azaspiro[4.5]decan-4-yl]-N-pyridin-4-ylpropanamide?
The InChIKey is GBBDOPWWHKVIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H51N7O/c58-49(55(40-25-32-52-33-26-40)57-47-19-7-3-15-43(47)44-16-4-8-20-48(44)57)22-21-38-12-11-27-50(38)28-36-53(37-29-50)34-9-10-35-54(39-23-30-51-31-24-39)56-45-17-5-1-13-41(45)42-14-2-6-18-46(42)56/h1-8,13-20,23-26,30-33,38H,9-12,21-22,27-29,34-37H2.
What are the key properties of N-carbazol-9-yl-3-[8-[4-[carbazol-9-yl(pyridin-4-yl)amino]butyl]-8-azaspiro[4.5]decan-4-yl]-N-pyridin-4-ylpropanamide?
N-carbazol-9-yl-3-[8-[4-[carbazol-9-yl(pyridin-4-yl)amino]butyl]-8-azaspiro[4.5]decan-4-yl]-N-pyridin-4-ylpropanamide has a molecular weight of 766.01 g/mol, XLogP of 10.90, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbazol-9-yl-3-[8-[4-[carbazol-9-yl(pyridin-4-yl)amino]butyl]-8-azaspiro[4.5]decan-4-yl]-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 70367381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).