N-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine

C32H24FN3 — CID 70893362

IUPACN-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
SMILESCC1(C)c2ccccc2-n2c3ccc(N(c4ccc(F)cc4)c4ccccn4)cc3c3cccc1c32
InChIInChI=1S/C32H24FN3/c1-32(2)26-9-3-4-11-29(26)36-28-18-17-23(20-25(28)24-8-7-10-27(32)31(24)36)35(30-12-5-6-19-34-30)22-15-13-21(33)14-16-22/h3-20H,1-2H3
InChIKeyINCZNQGCAXBAGZ-UHFFFAOYSA-N
MW469.56 g/mol
LogP8.43
Rot. Bonds3

About N-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine

N-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine (PubChem CID 70893362) has the molecular formula C32H24FN3 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
PubChem CID70893362
Molecular FormulaC32H24FN3
Molecular Weight469.56 g/mol
Exact Mass469.20
IUPAC NameN-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
SMILESCC1(C)c2ccccc2-n2c3ccc(N(c4ccc(F)cc4)c4ccccn4)cc3c3cccc1c32
InChIInChI=1S/C32H24FN3/c1-32(2)26-9-3-4-11-29(26)36-28-18-17-23(20-25(28)24-8-7-10-27(32)31(24)36)35(30-12-5-6-19-34-30)22-15-13-21(33)14-16-22/h3-20H,1-2H3
InChIKeyINCZNQGCAXBAGZ-UHFFFAOYSA-N
XLogP8.43
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.56
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?
The IUPAC name of N-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine (CID 70893362) is N-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine.
What is the SMILES notation for N-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?
The canonical SMILES for N-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine is CC1(C)c2ccccc2-n2c3ccc(N(c4ccc(F)cc4)c4ccccn4)cc3c3cccc1c32.
What is the InChIKey of N-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?
The InChIKey is INCZNQGCAXBAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FN3/c1-32(2)26-9-3-4-11-29(26)36-28-18-17-23(20-25(28)24-8-7-10-27(32)31(24)36)35(30-12-5-6-19-34-30)22-15-13-21(33)14-16-22/h3-20H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?
N-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine has a molecular weight of 469.56 g/mol, XLogP of 8.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-13,13-dimethyl-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine is sourced from PubChem (CID 70893362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).