N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide

C19H21N5O4 — CID 110118809

IUPACN-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1(O)COCCN(C(=O)c2cc3ccccc3[nH]2)C1)c1ccn[nH]1
InChIInChI=1S/C19H21N5O4/c25-17(15-5-6-21-23-15)20-10-19(27)11-24(7-8-28-12-19)18(26)16-9-13-3-1-2-4-14(13)22-16/h1-6,9,22,27H,7-8,10-12H2,(H,20,25)(H,21,23)
InChIKeyVEBAESAEOVTTSR-UHFFFAOYSA-N
MW383.41 g/mol
LogP0.52
Rot. Bonds4

About N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide

N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 110118809) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID110118809
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1(O)COCCN(C(=O)c2cc3ccccc3[nH]2)C1)c1ccn[nH]1
InChIInChI=1S/C19H21N5O4/c25-17(15-5-6-21-23-15)20-10-19(27)11-24(7-8-28-12-19)18(26)16-9-13-3-1-2-4-14(13)22-16/h1-6,9,22,27H,7-8,10-12H2,(H,20,25)(H,21,23)
InChIKeyVEBAESAEOVTTSR-UHFFFAOYSA-N
XLogP0.52
TPSA123.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[[(6R)-6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 124954161
N-[[(6S)-6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]acetamide
CID 125018899
N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide
CID 110118833
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 124976970
N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
CID 124952698
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95718598
(2,2-dimethylmorpholin-4-yl)-(1H-indol-2-yl)methanone
CID 35020495
1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398083
N-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 110123012
N-[[4-(2-amino-6-methylpyrimidine-4-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 110122167
N-[[(6S)-6-hydroxy-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 125004694

Frequently Asked Questions

What is the IUPAC name of N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide (CID 110118809) is N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide is O=C(NCC1(O)COCCN(C(=O)c2cc3ccccc3[nH]2)C1)c1ccn[nH]1.
What is the InChIKey of N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is VEBAESAEOVTTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c25-17(15-5-6-21-23-15)20-10-19(27)11-24(7-8-28-12-19)18(26)16-9-13-3-1-2-4-14(13)22-16/h1-6,9,22,27H,7-8,10-12H2,(H,20,25)(H,21,23).
What are the key properties of N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide?
N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 0.52, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110118809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).