3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide

C20H21IN4O2 — CID 86711001

IUPAC3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)c1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C20H21IN4O2/c21-19-17-11-14(5-6-18(17)23-24-19)20(26)22-12-15-3-1-2-4-16(15)13-25-7-9-27-10-8-25/h1-6,11H,7-10,12-13H2,(H,22,26)(H,23,24)
InChIKeyNHXPLJJDZSIRSX-UHFFFAOYSA-N
MW476.32 g/mol
LogP2.93
Rot. Bonds5

About 3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide

3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide (PubChem CID 86711001) has the molecular formula C20H21IN4O2 and a molecular weight of 476.32 g/mol. Its IUPAC name is 3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide
PubChem CID86711001
Molecular FormulaC20H21IN4O2
Molecular Weight476.32 g/mol
Exact Mass476.07
IUPAC Name3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)c1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C20H21IN4O2/c21-19-17-11-14(5-6-18(17)23-24-19)20(26)22-12-15-3-1-2-4-16(15)13-25-7-9-27-10-8-25/h1-6,11H,7-10,12-13H2,(H,22,26)(H,23,24)
InChIKeyNHXPLJJDZSIRSX-UHFFFAOYSA-N
XLogP2.93
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481167
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
CID 31961123
4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481155
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 9143979
4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide
CID 78810384
3-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55882954
4-chloro-N-[3-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 9481353
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-iodobenzamide
CID 55664630
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 24549403
N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide
CID 67451670

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide?
The IUPAC name of 3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide (CID 86711001) is 3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide is O=C(NCc1ccccc1CN1CCOCC1)c1ccc2n[nH]c(I)c2c1.
What is the InChIKey of 3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide?
The InChIKey is NHXPLJJDZSIRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21IN4O2/c21-19-17-11-14(5-6-18(17)23-24-19)20(26)22-12-15-3-1-2-4-16(15)13-25-7-9-27-10-8-25/h1-6,11H,7-10,12-13H2,(H,22,26)(H,23,24).
What are the key properties of 3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide?
3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide has a molecular weight of 476.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 86711001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).