N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide

C20H27ClN4O3 — CID 59494659

IUPACN-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCOCCCn1ncc2c(Cl)cc(CN(C(=O)C3CNCCO3)C3CC3)cc21
InChIInChI=1S/C20H27ClN4O3/c1-27-7-2-6-25-18-10-14(9-17(21)16(18)11-23-25)13-24(15-3-4-15)20(26)19-12-22-5-8-28-19/h9-11,15,19,22H,2-8,12-13H2,1H3
InChIKeyARQVUSSKWCDPGL-UHFFFAOYSA-N
MW406.91 g/mol
LogP2.21
Rot. Bonds8

About N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide

N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide (PubChem CID 59494659) has the molecular formula C20H27ClN4O3 and a molecular weight of 406.91 g/mol. Its IUPAC name is N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide
PubChem CID59494659
Molecular FormulaC20H27ClN4O3
Molecular Weight406.91 g/mol
Exact Mass406.18
IUPAC NameN-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCOCCCn1ncc2c(Cl)cc(CN(C(=O)C3CNCCO3)C3CC3)cc21
InChIInChI=1S/C20H27ClN4O3/c1-27-7-2-6-25-18-10-14(9-17(21)16(18)11-23-25)13-24(15-3-4-15)20(26)19-12-22-5-8-28-19/h9-11,15,19,22H,2-8,12-13H2,1H3
InChIKeyARQVUSSKWCDPGL-UHFFFAOYSA-N
XLogP2.21
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-cyclopropyl-N-[(1R)-1-[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 117877381
(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide
CID 25124582
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 66551447
(2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
CID 66551640
(2R)-N-{(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methyl-1H-indazol-6-yl]ethyl}-N-cyclopropylmorpholine-2-carboxamide
CID 66551836
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3,4-dimethylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 66551837
(2R)-N-[(1S)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
CID 68308681
(2R)-N-{(1S)-1-[4-chloro-1-(3-methoxypropyl)-3-methyl-1H-indazol-6-yl]ethyl}-N-cyclopropylmorpholine-2-carboxamide
CID 68309688
(2R)-N-cyclopropyl-N-[(1S)-1-[1-(3-methoxypropyl)indazol-6-yl]ethyl]morpholine-2-carboxamide
CID 68309757
(2R)-N-cyclopropyl-N-[(1S)-1-[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 68309979
(2R)-N-cyclopropyl-N-[(1S)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 68310592
(2R)-N-cyclopropyl-N-[(1R)-1-[3-fluoro-1-(3-methoxypropyl)indazol-6-yl]ethyl]morpholine-2-carboxamide
CID 68310604

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide?
The IUPAC name of N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide (CID 59494659) is N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide.
What is the SMILES notation for N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide?
The canonical SMILES for N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide is COCCCn1ncc2c(Cl)cc(CN(C(=O)C3CNCCO3)C3CC3)cc21.
What is the InChIKey of N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide?
The InChIKey is ARQVUSSKWCDPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O3/c1-27-7-2-6-25-18-10-14(9-17(21)16(18)11-23-25)13-24(15-3-4-15)20(26)19-12-22-5-8-28-19/h9-11,15,19,22H,2-8,12-13H2,1H3.
What are the key properties of N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide?
N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide has a molecular weight of 406.91 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide is sourced from PubChem (CID 59494659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).