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

C50H37N13O3 — CID 137034179

IUPACN-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]furan-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
SMILESCc1ccncc1-c1cc2c(-c3cc4c(-c5cocc5-c5nc(-c6cncc(NC(=O)CC(C)C)c6)cc6c(-c7cc8c(-c9ccoc9)nccc8[nH]7)n[nH]c56)nccc4[nH]3)n[nH]c2cn1
InChIInChI=1S/C50H37N13O3/c1-25(2)12-44(64)56-29-13-28(18-52-19-29)39-17-33-48(42-15-30-37(57-42)5-9-53-45(30)27-7-11-65-22-27)62-63-50(33)49(59-39)36-24-66-23-35(36)46-31-16-41(58-38(31)6-10-54-46)47-32-14-40(55-21-43(32)60-61-47)34-20-51-8-4-26(34)3/h4-11,13-25,57-58H,12H2,1-3H3,(H,56,64)(H,60,61)(H,62,63)
InChIKeyUNUCMHZKONUJMK-UHFFFAOYSA-N
MW867.93 g/mol
LogP10.92
Rot. Bonds10

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

N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]furan-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide (PubChem CID 137034179) has the molecular formula C50H37N13O3 and a molecular weight of 867.93 g/mol. Its IUPAC name is N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]furan-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]furan-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
PubChem CID137034179
Molecular FormulaC50H37N13O3
Molecular Weight867.93 g/mol
Exact Mass867.31
IUPAC NameN-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]furan-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
SMILESCc1ccncc1-c1cc2c(-c3cc4c(-c5cocc5-c5nc(-c6cncc(NC(=O)CC(C)C)c6)cc6c(-c7cc8c(-c9ccoc9)nccc8[nH]7)n[nH]c56)nccc4[nH]3)n[nH]c2cn1
InChIInChI=1S/C50H37N13O3/c1-25(2)12-44(64)56-29-13-28(18-52-19-29)39-17-33-48(42-15-30-37(57-42)5-9-53-45(30)27-7-11-65-22-27)62-63-50(33)49(59-39)36-24-66-23-35(36)46-31-16-41(58-38(31)6-10-54-46)47-32-14-40(55-21-43(32)60-61-47)34-20-51-8-4-26(34)3/h4-11,13-25,57-58H,12H2,1-3H3,(H,56,64)(H,60,61)(H,62,63)
InChIKeyUNUCMHZKONUJMK-UHFFFAOYSA-N
XLogP10.92
TPSA221.66 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500867.93
LogP ≤ 510.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]furan-3-yl]-1H-pyrazolo[3,4-c]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-pyrrolo[3,2-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]furan-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]furan-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide (CID 137034179) is N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]furan-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]furan-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]furan-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide is Cc1ccncc1-c1cc2c(-c3cc4c(-c5cocc5-c5nc(-c6cncc(NC(=O)CC(C)C)c6)cc6c(-c7cc8c(-c9ccoc9)nccc8[nH]7)n[nH]c56)nccc4[nH]3)n[nH]c2cn1.
What is the InChIKey of N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]furan-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide?
The InChIKey is UNUCMHZKONUJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N13O3/c1-25(2)12-44(64)56-29-13-28(18-52-19-29)39-17-33-48(42-15-30-37(57-42)5-9-53-45(30)27-7-11-65-22-27)62-63-50(33)49(59-39)36-24-66-23-35(36)46-31-16-41(58-38(31)6-10-54-46)47-32-14-40(55-21-43(32)60-61-47)34-20-51-8-4-26(34)3/h4-11,13-25,57-58H,12H2,1-3H3,(H,56,64)(H,60,61)(H,62,63).
What are the key properties of N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]furan-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide?
N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]furan-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 867.93 g/mol, XLogP of 10.92, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]furan-3-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 137034179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).