23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one

C38H38N6O7 — CID 172663904

IUPAC23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one
SMILESCOc1ccc2cc1-c1cc3c(c(c1)OCCCN(C(=O)c1cc(-c4ccccn4)n[nH]1)CCCCNC2=O)OCCN(C(=O)c1ccco1)C3
InChIInChI=1S/C38H38N6O7/c1-48-32-11-10-25-21-28(32)26-20-27-24-44(38(47)33-9-6-17-49-33)16-19-51-35(27)34(22-26)50-18-7-15-43(14-5-4-13-40-36(25)45)37(46)31-23-30(41-42-31)29-8-2-3-12-39-29/h2-3,6,8-12,17,20-23H,4-5,7,13-16,18-19,24H2,1H3,(H,40,45)(H,41,42)
InChIKeyCBAKUZWTAKRXJX-UHFFFAOYSA-N
MW690.76 g/mol
LogP5.21
Rot. Bonds4

About 23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one

23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one (PubChem CID 172663904) has the molecular formula C38H38N6O7 and a molecular weight of 690.76 g/mol. Its IUPAC name is 23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one.

Molecular Properties

Compound Name23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one
PubChem CID172663904
Molecular FormulaC38H38N6O7
Molecular Weight690.76 g/mol
Exact Mass690.28
IUPAC Name23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one
SMILESCOc1ccc2cc1-c1cc3c(c(c1)OCCCN(C(=O)c1cc(-c4ccccn4)n[nH]1)CCCCNC2=O)OCCN(C(=O)c1ccco1)C3
InChIInChI=1S/C38H38N6O7/c1-48-32-11-10-25-21-28(32)26-20-27-24-44(38(47)33-9-6-17-49-33)16-19-51-35(27)34(22-26)50-18-7-15-43(14-5-4-13-40-36(25)45)37(46)31-23-30(41-42-31)29-8-2-3-12-39-29/h2-3,6,8-12,17,20-23H,4-5,7,13-16,18-19,24H2,1H3,(H,40,45)(H,41,42)
InChIKeyCBAKUZWTAKRXJX-UHFFFAOYSA-N
XLogP5.21
TPSA152.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.76
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one with MolForge

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Related Compounds

23-(furan-2-carbonyl)-3-methoxy-12-[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one
CID 172673646
3-methoxy-13-(2-methylsulfanylpyridine-3-carbonyl)-23-(5-oxopyrrolidine-2-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one
CID 172663886
3-methoxy-12-(1-methylimidazole-4-carbonyl)-23-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one
CID 172661587
N-[2-[12-(2-chloro-6-fluoro-3-methylbenzoyl)-3-methoxy-7-oxo-17,20-dioxa-8,12,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-23-yl]-2-oxoethyl]acetamide
CID 172666346
(3-pyridin-2-yl-1H-pyrazol-5-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125178364
5-fluoro-13-[3-(tetrazol-1-yl)propanoyl]-22-[(2,4,5-trimethoxyphenyl)methyl]-16,19-dioxa-8,13,22-triazatetracyclo[15.8.1.12,6.018,24]heptacosa-1(25),2(27),3,5,17(26),18(24)-hexaen-7-one
CID 172666351
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799718
[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 164689714
(10S)-14-(1-benzylpyrazole-4-carbonyl)-23-methoxy-7-methyl-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.3.1.05,9]tetracosa-1(23),6,8,20(24),21-pentaene-12,19-dione
CID 162630137
(12R)-22-methoxy-12-propan-2-yl-16-(pyridine-2-carbonyl)-20-oxa-3,6,10,13,16-pentazatricyclo[19.3.1.02,6]pentacosa-1(25),2,4,21,23-pentaene-11,14-dione
CID 157017326
[9-methoxy-7-(2-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 42190619
N-[(4-methylphenyl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799692

Frequently Asked Questions

What is the IUPAC name of 23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one?
The IUPAC name of 23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one (CID 172663904) is 23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one.
What is the SMILES notation for 23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one?
The canonical SMILES for 23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one is COc1ccc2cc1-c1cc3c(c(c1)OCCCN(C(=O)c1cc(-c4ccccn4)n[nH]1)CCCCNC2=O)OCCN(C(=O)c1ccco1)C3.
What is the InChIKey of 23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one?
The InChIKey is CBAKUZWTAKRXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N6O7/c1-48-32-11-10-25-21-28(32)26-20-27-24-44(38(47)33-9-6-17-49-33)16-19-51-35(27)34(22-26)50-18-7-15-43(14-5-4-13-40-36(25)45)37(46)31-23-30(41-42-31)29-8-2-3-12-39-29/h2-3,6,8-12,17,20-23H,4-5,7,13-16,18-19,24H2,1H3,(H,40,45)(H,41,42).
What are the key properties of 23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one?
23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one has a molecular weight of 690.76 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(furan-2-carbonyl)-3-methoxy-13-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-17,20-dioxa-8,13,23-triazatetracyclo[16.8.1.12,6.019,25]octacosa-1(26),2,4,6(28),18(27),19(25)-hexaen-7-one is sourced from PubChem (CID 172663904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).