N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide

C59H46N14O3 — CID 145036260

IUPACN-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESCN1CN=C(c2nc3c([nH]2)CN=CC=C3c2coc(-c3cc(-c4cncc(NC(=O)c5ccccc5)c4)cc4c(-c5nc6c(-c7ccoc7)ccnc6[nH]5)n[nH]c34)c2)c2cc(-c3cncc(CN4CCCC4)c3)ccc21
InChIInChI=1S/C59H46N14O3/c1-72-33-64-53(45-21-36(9-10-49(45)72)39-19-34(25-61-26-39)30-73-16-5-6-17-73)57-66-48-29-60-14-11-44(52(48)67-57)41-24-50(76-32-41)46-22-38(40-20-42(28-62-27-40)65-59(74)35-7-3-2-4-8-35)23-47-51(46)70-71-55(47)58-68-54-43(37-13-18-75-31-37)12-15-63-56(54)69-58/h2-4,7-15,18-28,31-32H,5-6,16-17,29-30,33H2,1H3,(H,65,74)(H,66,67)(H,70,71)(H,63,68,69)
InChIKeyINLUVDGYJQDQAB-UHFFFAOYSA-N
MW999.11 g/mol
LogP10.98
Rot. Bonds11

About N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide

N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 145036260) has the molecular formula C59H46N14O3 and a molecular weight of 999.11 g/mol. Its IUPAC name is N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
PubChem CID145036260
Molecular FormulaC59H46N14O3
Molecular Weight999.11 g/mol
Exact Mass998.39
IUPAC NameN-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESCN1CN=C(c2nc3c([nH]2)CN=CC=C3c2coc(-c3cc(-c4cncc(NC(=O)c5ccccc5)c4)cc4c(-c5nc6c(-c7ccoc7)ccnc6[nH]5)n[nH]c34)c2)c2cc(-c3cncc(CN4CCCC4)c3)ccc21
InChIInChI=1S/C59H46N14O3/c1-72-33-64-53(45-21-36(9-10-49(45)72)39-19-34(25-61-26-39)30-73-16-5-6-17-73)57-66-48-29-60-14-11-44(52(48)67-57)41-24-50(76-32-41)46-22-38(40-20-42(28-62-27-40)65-59(74)35-7-3-2-4-8-35)23-47-51(46)70-71-55(47)58-68-54-43(37-13-18-75-31-37)12-15-63-56(54)69-58/h2-4,7-15,18-28,31-32H,5-6,16-17,29-30,33H2,1H3,(H,65,74)(H,66,67)(H,70,71)(H,63,68,69)
InChIKeyINLUVDGYJQDQAB-UHFFFAOYSA-N
XLogP10.98
TPSA211.29 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500999.11
LogP ≤ 510.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25190977
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225574
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carboxamide
CID 46226156
(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
CID 46226417
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136944955
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46190876
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-amine
CID 46226077
(S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46226096
N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 136213909
N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 136214374
7-(furan-3-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 136273272
N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136506881

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide (CID 145036260) is N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide is CN1CN=C(c2nc3c([nH]2)CN=CC=C3c2coc(-c3cc(-c4cncc(NC(=O)c5ccccc5)c4)cc4c(-c5nc6c(-c7ccoc7)ccnc6[nH]5)n[nH]c34)c2)c2cc(-c3cncc(CN4CCCC4)c3)ccc21.
What is the InChIKey of N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The InChIKey is INLUVDGYJQDQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46N14O3/c1-72-33-64-53(45-21-36(9-10-49(45)72)39-19-34(25-61-26-39)30-73-16-5-6-17-73)57-66-48-29-60-14-11-44(52(48)67-57)41-24-50(76-32-41)46-22-38(40-20-42(28-62-27-40)65-59(74)35-7-3-2-4-8-35)23-47-51(46)70-71-55(47)58-68-54-43(37-13-18-75-31-37)12-15-63-56(54)69-58/h2-4,7-15,18-28,31-32H,5-6,16-17,29-30,33H2,1H3,(H,65,74)(H,66,67)(H,70,71)(H,63,68,69).
What are the key properties of N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide?
N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 999.11 g/mol, XLogP of 10.98, 11 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-7-[4-[2-[1-methyl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-quinazolin-4-yl]-3,4-dihydroimidazo[4,5-c]azepin-8-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 145036260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).