(2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

C22H31ClN4O3 — CID 66551836

IUPAC(2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCOCCCn1nc(C)c2c(Cl)cc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
InChIInChI=1S/C22H31ClN4O3/c1-14-21-18(23)11-16(12-19(21)26(25-14)8-4-9-29-3)15(2)27(17-5-6-17)22(28)20-13-24-7-10-30-20/h11-12,15,17,20,24H,4-10,13H2,1-3H3/t15-,20-/m1/s1
InChIKeyFUZDMPHNVOBBHN-FOIQADDNSA-N
MW434.97 g/mol
LogP3.08
Rot. Bonds8

About (2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

(2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (PubChem CID 66551836) has the molecular formula C22H31ClN4O3 and a molecular weight of 434.97 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
PubChem CID66551836
Molecular FormulaC22H31ClN4O3
Molecular Weight434.97 g/mol
Exact Mass434.21
IUPAC Name(2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCOCCCn1nc(C)c2c(Cl)cc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
InChIInChI=1S/C22H31ClN4O3/c1-14-21-18(23)11-16(12-19(21)26(25-14)8-4-9-29-3)15(2)27(17-5-6-17)22(28)20-13-24-7-10-30-20/h11-12,15,17,20,24H,4-10,13H2,1-3H3/t15-,20-/m1/s1
InChIKeyFUZDMPHNVOBBHN-FOIQADDNSA-N
XLogP3.08
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (CID 66551836) is (2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is COCCCn1nc(C)c2c(Cl)cc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21.
What is the InChIKey of (2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The InChIKey is FUZDMPHNVOBBHN-FOIQADDNSA-N. The full InChI is InChI=1S/C22H31ClN4O3/c1-14-21-18(23)11-16(12-19(21)26(25-14)8-4-9-29-3)15(2)27(17-5-6-17)22(28)20-13-24-7-10-30-20/h11-12,15,17,20,24H,4-10,13H2,1-3H3/t15-,20-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
(2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide has a molecular weight of 434.97 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[4-chloro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is sourced from PubChem (CID 66551836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).