(2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine

C39H38N8O — CID 69192191

IUPAC(2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine
SMILESCc1[nH]nc2ccc(-c3cc(N(C[C@H](N)Cc4c[nH]c5ccccc45)C[C@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12
InChIInChI=1S/C39H38N8O/c1-24-34-16-25(10-11-38(34)46-45-24)35-17-31(20-44-39(35)26-12-13-48-23-26)47(21-29(40)14-27-18-42-36-8-4-2-6-32(27)36)22-30(41)15-28-19-43-37-9-5-3-7-33(28)37/h2-13,16-20,23,29-30,42-43H,14-15,21-22,40-41H2,1H3,(H,45,46)/t29-,30-/m1/s1
InChIKeyBZFGFBTUIWDQNB-LOYHVIPDSA-N
MW634.79 g/mol
LogP7.10
Rot. Bonds11

About (2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine

(2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine (PubChem CID 69192191) has the molecular formula C39H38N8O and a molecular weight of 634.79 g/mol. Its IUPAC name is (2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine
PubChem CID69192191
Molecular FormulaC39H38N8O
Molecular Weight634.79 g/mol
Exact Mass634.32
IUPAC Name(2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine
SMILESCc1[nH]nc2ccc(-c3cc(N(C[C@H](N)Cc4c[nH]c5ccccc45)C[C@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12
InChIInChI=1S/C39H38N8O/c1-24-34-16-25(10-11-38(34)46-45-24)35-17-31(20-44-39(35)26-12-13-48-23-26)47(21-29(40)14-27-18-42-36-8-4-2-6-32(27)36)22-30(41)15-28-19-43-37-9-5-3-7-33(28)37/h2-13,16-20,23,29-30,42-43H,14-15,21-22,40-41H2,1H3,(H,45,46)/t29-,30-/m1/s1
InChIKeyBZFGFBTUIWDQNB-LOYHVIPDSA-N
XLogP7.10
TPSA141.57 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.79
LogP ≤ 57.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine?
The IUPAC name of (2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine (CID 69192191) is (2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine?
The canonical SMILES for (2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine is Cc1[nH]nc2ccc(-c3cc(N(C[C@H](N)Cc4c[nH]c5ccccc45)C[C@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12.
What is the InChIKey of (2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine?
The InChIKey is BZFGFBTUIWDQNB-LOYHVIPDSA-N. The full InChI is InChI=1S/C39H38N8O/c1-24-34-16-25(10-11-38(34)46-45-24)35-17-31(20-44-39(35)26-12-13-48-23-26)47(21-29(40)14-27-18-42-36-8-4-2-6-32(27)36)22-30(41)15-28-19-43-37-9-5-3-7-33(28)37/h2-13,16-20,23,29-30,42-43H,14-15,21-22,40-41H2,1H3,(H,45,46)/t29-,30-/m1/s1.
What are the key properties of (2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine?
(2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine has a molecular weight of 634.79 g/mol, XLogP of 7.10, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[(2R)-2-amino-3-(1H-indol-3-yl)propyl]-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-(1H-indol-3-yl)propane-1,2-diamine is sourced from PubChem (CID 69192191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).