4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide

C32H24N6O2 — CID 67319437

IUPAC4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
SMILESNCc1ccc(C(=O)Nc2ccc(Nc3nc(-c4cccc5c4oc4ccccc45)cc4ccnn34)cc2)cc1
InChIInChI=1S/C32H24N6O2/c33-19-20-8-10-21(11-9-20)31(39)35-22-12-14-23(15-13-22)36-32-37-28(18-24-16-17-34-38(24)32)27-6-3-5-26-25-4-1-2-7-29(25)40-30(26)27/h1-18H,19,33H2,(H,35,39)(H,36,37)
InChIKeyPTMUAMQJNDIUTQ-UHFFFAOYSA-N
MW524.58 g/mol
LogP6.75
Rot. Bonds6

About 4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide

4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide (PubChem CID 67319437) has the molecular formula C32H24N6O2 and a molecular weight of 524.58 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
PubChem CID67319437
Molecular FormulaC32H24N6O2
Molecular Weight524.58 g/mol
Exact Mass524.20
IUPAC Name4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
SMILESNCc1ccc(C(=O)Nc2ccc(Nc3nc(-c4cccc5c4oc4ccccc45)cc4ccnn34)cc2)cc1
InChIInChI=1S/C32H24N6O2/c33-19-20-8-10-21(11-9-20)31(39)35-22-12-14-23(15-13-22)36-32-37-28(18-24-16-17-34-38(24)32)27-6-3-5-26-25-4-1-2-7-29(25)40-30(26)27/h1-18H,19,33H2,(H,35,39)(H,36,37)
InChIKeyPTMUAMQJNDIUTQ-UHFFFAOYSA-N
XLogP6.75
TPSA110.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 56.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
CID 67319878
2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
CID 67320165
tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate
CID 67319237
4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide
CID 156902621
5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 66963332
4-amino-N-[4-[[5-(3-bromophenyl)pyrazolo[1,5-c]pyrimidin-7-yl]amino]phenyl]benzamide
CID 67319116
N-[4-[[5-[4-(2-methoxyphenyl)phenyl]pyrazolo[1,5-c]pyrimidin-7-yl]amino]phenyl]-4-methylbenzamide
CID 91540443
tert-butyl N-[3-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]anilino]-2-(3,4-dichlorophenyl)-3-oxopropyl]carbamate
CID 67319957
tert-butyl-[[4-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl]methyl]carbamic acid
CID 69020380
2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide
CID 156902521
2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide
CID 91103245
tert-butyl-[2-[4-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl]ethyl]carbamic acid
CID 69021304

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide (CID 67319437) is 4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide is NCc1ccc(C(=O)Nc2ccc(Nc3nc(-c4cccc5c4oc4ccccc45)cc4ccnn34)cc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide?
The InChIKey is PTMUAMQJNDIUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N6O2/c33-19-20-8-10-21(11-9-20)31(39)35-22-12-14-23(15-13-22)36-32-37-28(18-24-16-17-34-38(24)32)27-6-3-5-26-25-4-1-2-7-29(25)40-30(26)27/h1-18H,19,33H2,(H,35,39)(H,36,37).
What are the key properties of 4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide?
4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide has a molecular weight of 524.58 g/mol, XLogP of 6.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide is sourced from PubChem (CID 67319437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).