methyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate

C27H39N5O5 — CID 73437906

IUPACmethyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate
SMILESCOC[C@@H]1CNC[C@H](C(=O)N(C2CC2)[C@H](C)c2nn(CCCNC(=O)OC)c3cc(C4CC4)ccc23)O1
InChIInChI=1S/C27H39N5O5/c1-17(32(20-8-9-20)26(33)24-15-28-14-21(37-24)16-35-2)25-22-10-7-19(18-5-6-18)13-23(22)31(30-25)12-4-11-29-27(34)36-3/h7,10,13,17-18,20-21,24,28H,4-6,8-9,11-12,14-16H2,1-3H3,(H,29,34)/t17-,21+,24-/m1/s1
InChIKeyFKFIMNTYFPDWIL-QATBIIFWSA-N
MW513.64 g/mol
LogP2.72
Rot. Bonds11

About methyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate

methyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate (PubChem CID 73437906) has the molecular formula C27H39N5O5 and a molecular weight of 513.64 g/mol. Its IUPAC name is methyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate
PubChem CID73437906
Molecular FormulaC27H39N5O5
Molecular Weight513.64 g/mol
Exact Mass513.30
IUPAC Namemethyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate
SMILESCOC[C@@H]1CNC[C@H](C(=O)N(C2CC2)[C@H](C)c2nn(CCCNC(=O)OC)c3cc(C4CC4)ccc23)O1
InChIInChI=1S/C27H39N5O5/c1-17(32(20-8-9-20)26(33)24-15-28-14-21(37-24)16-35-2)25-22-10-7-19(18-5-6-18)13-23(22)31(30-25)12-4-11-29-27(34)36-3/h7,10,13,17-18,20-21,24,28H,4-6,8-9,11-12,14-16H2,1-3H3,(H,29,34)/t17-,21+,24-/m1/s1
InChIKeyFKFIMNTYFPDWIL-QATBIIFWSA-N
XLogP2.72
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.64
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate (CID 73437906) is methyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate is COC[C@@H]1CNC[C@H](C(=O)N(C2CC2)[C@H](C)c2nn(CCCNC(=O)OC)c3cc(C4CC4)ccc23)O1.
What is the InChIKey of methyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate?
The InChIKey is FKFIMNTYFPDWIL-QATBIIFWSA-N. The full InChI is InChI=1S/C27H39N5O5/c1-17(32(20-8-9-20)26(33)24-15-28-14-21(37-24)16-35-2)25-22-10-7-19(18-5-6-18)13-23(22)31(30-25)12-4-11-29-27(34)36-3/h7,10,13,17-18,20-21,24,28H,4-6,8-9,11-12,14-16H2,1-3H3,(H,29,34)/t17-,21+,24-/m1/s1.
What are the key properties of methyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate?
methyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate has a molecular weight of 513.64 g/mol, XLogP of 2.72, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[6-cyclopropyl-3-[(1R)-1-[cyclopropyl-[(2R,6S)-6-(methoxymethyl)morpholine-2-carbonyl]amino]ethyl]indazol-1-yl]propyl]carbamate is sourced from PubChem (CID 73437906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).