(1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione

C25H33N5O5 — CID 122165100

IUPAC(1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione
SMILESCN1CCN2C(=O)c3ccc(-c4cnn(C)c4)cc3OCC[C@@H]3CC[C@H](O)[C@@H](CNC(=O)[C@@H]2C1)O3
InChIInChI=1S/C25H33N5O5/c1-28-8-9-30-20(15-28)24(32)26-13-23-21(31)6-4-18(35-23)7-10-34-22-11-16(3-5-19(22)25(30)33)17-12-27-29(2)14-17/h3,5,11-12,14,18,20-21,23,31H,4,6-10,13,15H2,1-2H3,(H,26,32)/t18-,20-,21-,23+/m0/s1
InChIKeyUMPVCGYYCSMWBC-XHRGMSINSA-N
MW483.57 g/mol
LogP0.65
Rot. Bonds1

About (1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione

(1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione (PubChem CID 122165100) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is (1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione.

Molecular Properties

Compound Name(1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione
PubChem CID122165100
Molecular FormulaC25H33N5O5
Molecular Weight483.57 g/mol
Exact Mass483.25
IUPAC Name(1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione
SMILESCN1CCN2C(=O)c3ccc(-c4cnn(C)c4)cc3OCC[C@@H]3CC[C@H](O)[C@@H](CNC(=O)[C@@H]2C1)O3
InChIInChI=1S/C25H33N5O5/c1-28-8-9-30-20(15-28)24(32)26-13-23-21(31)6-4-18(35-23)7-10-34-22-11-16(3-5-19(22)25(30)33)17-12-27-29(2)14-17/h3,5,11-12,14,18,20-21,23,31H,4,6-10,13,15H2,1-2H3,(H,26,32)/t18-,20-,21-,23+/m0/s1
InChIKeyUMPVCGYYCSMWBC-XHRGMSINSA-N
XLogP0.65
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione with MolForge

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Related Compounds

N-[4-[[(1R,5S,21S,24S)-24-hydroxy-15-(1-methylpyrazol-4-yl)-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-trien-7-yl]methyl]phenyl]acetamide
CID 122165116
(1R,5S,21S,24S)-24-hydroxy-7-[(3-methoxyphenyl)methyl]-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione
CID 122165108
(1R,5S,8S,20S,23S)-6-(1-acetylpiperidin-4-yl)-23-hydroxy-14-(1-methylpyrazol-4-yl)-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione
CID 125415948
(1R,5S,8S,20S,23S)-23-hydroxy-14-(1-methylpyrazol-4-yl)-6-(thiophen-2-ylmethyl)-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione
CID 125415860
(1R,5S,21S,24S)-7-benzyl-24-hydroxy-15-phenyl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione
CID 122165383
tert-butyl (1R,5S,21S,24S)-24-hydroxy-4,11-dioxo-15-phenyl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-7-carboxylate
CID 122165462
(1R,5S,8S,20S,23S)-23-hydroxy-6-(1-methylpiperidin-4-yl)-14-pyridin-4-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione
CID 125416027
(1R,5S,21S,24S)-24-hydroxy-15-phenyl-7-[[4-(trifluoromethoxy)phenyl]methyl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione
CID 122165391
2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide
CID 122165223
(1R,5S,21S,24S)-24-hydroxy-7-[(4-methylsulfonylphenyl)methyl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione
CID 122165081
(1R,5S,8S,20S,23S)-6-cyclobutyl-23-hydroxy-14-phenyl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione
CID 125416034
(1R,5S,8S,20S,23S)-23-hydroxy-6-[(1-methylimidazol-4-yl)methyl]-14-(4-methylsulfonylphenyl)-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-4,10-dione
CID 172883646

Frequently Asked Questions

What is the IUPAC name of (1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione?
The IUPAC name of (1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione (CID 122165100) is (1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione.
What is the SMILES notation for (1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione?
The canonical SMILES for (1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione is CN1CCN2C(=O)c3ccc(-c4cnn(C)c4)cc3OCC[C@@H]3CC[C@H](O)[C@@H](CNC(=O)[C@@H]2C1)O3.
What is the InChIKey of (1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione?
The InChIKey is UMPVCGYYCSMWBC-XHRGMSINSA-N. The full InChI is InChI=1S/C25H33N5O5/c1-28-8-9-30-20(15-28)24(32)26-13-23-21(31)6-4-18(35-23)7-10-34-22-11-16(3-5-19(22)25(30)33)17-12-27-29(2)14-17/h3,5,11-12,14,18,20-21,23,31H,4,6-10,13,15H2,1-2H3,(H,26,32)/t18-,20-,21-,23+/m0/s1.
What are the key properties of (1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione?
(1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione has a molecular weight of 483.57 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,21S,24S)-24-hydroxy-7-methyl-15-(1-methylpyrazol-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12(17),13,15-triene-4,11-dione is sourced from PubChem (CID 122165100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).