N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide

C52H39N11O3 — CID 137087998

IUPACN-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3cc4c(-c5cocc5-c5cc(-c6cncc(NC(=O)CC(C)C)c6)nc6c(-c7cc8c(-c9ccoc9)cccc8[nH]7)n[nH]c56)cccc4[nH]3)c2n1
InChIInChI=1S/C52H39N11O3/c1-27(2)16-47(64)55-31-17-30(21-54-22-31)44-20-36(48-52(59-44)51(63-61-48)46-18-34-32(29-13-15-65-24-29)6-4-8-40(34)56-46)39-26-66-25-38(39)33-7-5-9-41-35(33)19-45(57-41)50-49-43(60-62-50)11-10-42(58-49)37-23-53-14-12-28(37)3/h4-15,17-27,56-57H,16H2,1-3H3,(H,55,64)(H,60,62)(H,61,63)
InChIKeyLALJRHTXUGKNEO-UHFFFAOYSA-N
MW865.96 g/mol
LogP12.13
Rot. Bonds10

About N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide

N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide (PubChem CID 137087998) has the molecular formula C52H39N11O3 and a molecular weight of 865.96 g/mol. Its IUPAC name is N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
PubChem CID137087998
Molecular FormulaC52H39N11O3
Molecular Weight865.96 g/mol
Exact Mass865.32
IUPAC NameN-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3cc4c(-c5cocc5-c5cc(-c6cncc(NC(=O)CC(C)C)c6)nc6c(-c7cc8c(-c9ccoc9)cccc8[nH]7)n[nH]c56)cccc4[nH]3)c2n1
InChIInChI=1S/C52H39N11O3/c1-27(2)16-47(64)55-31-17-30(21-54-22-31)44-20-36(48-52(59-44)51(63-61-48)46-18-34-32(29-13-15-65-24-29)6-4-8-40(34)56-46)39-26-66-25-38(39)33-7-5-9-41-35(33)19-45(57-41)50-49-43(60-62-50)11-10-42(58-49)37-23-53-14-12-28(37)3/h4-15,17-27,56-57H,16H2,1-3H3,(H,55,64)(H,60,62)(H,61,63)
InChIKeyLALJRHTXUGKNEO-UHFFFAOYSA-N
XLogP12.13
TPSA195.88 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.96
LogP ≤ 512.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide (CID 137087998) is N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide is Cc1ccncc1-c1ccc2[nH]nc(-c3cc4c(-c5cocc5-c5cc(-c6cncc(NC(=O)CC(C)C)c6)nc6c(-c7cc8c(-c9ccoc9)cccc8[nH]7)n[nH]c56)cccc4[nH]3)c2n1.
What is the InChIKey of N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide?
The InChIKey is LALJRHTXUGKNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N11O3/c1-27(2)16-47(64)55-31-17-30(21-54-22-31)44-20-36(48-52(59-44)51(63-61-48)46-18-34-32(29-13-15-65-24-29)6-4-8-40(34)56-46)39-26-66-25-38(39)33-7-5-9-41-35(33)19-45(57-41)50-49-43(60-62-50)11-10-42(58-49)37-23-53-14-12-28(37)3/h4-15,17-27,56-57H,16H2,1-3H3,(H,55,64)(H,60,62)(H,61,63).
What are the key properties of N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide?
N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 865.96 g/mol, XLogP of 12.13, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(furan-3-yl)-1H-indol-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]furan-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 137087998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).