[(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone

C21H29ClN4O — CID 163792117

IUPAC[(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone
SMILESCCCC(CC)Nc1cc(Cl)cc2cc(C(=O)N3CC[C@@]4(CC4N)C3)[nH]c12
InChIInChI=1S/C21H29ClN4O/c1-3-5-15(4-2)24-16-10-14(22)8-13-9-17(25-19(13)16)20(27)26-7-6-21(12-26)11-18(21)23/h8-10,15,18,24-25H,3-7,11-12,23H2,1-2H3/t15?,18?,21-/m1/s1
InChIKeyMXSDKZHHNWSWEP-ZYKWQNGHSA-N
MW388.94 g/mol
LogP4.38
Rot. Bonds6

About [(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone

[(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone (PubChem CID 163792117) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is [(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone
PubChem CID163792117
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC Name[(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone
SMILESCCCC(CC)Nc1cc(Cl)cc2cc(C(=O)N3CC[C@@]4(CC4N)C3)[nH]c12
InChIInChI=1S/C21H29ClN4O/c1-3-5-15(4-2)24-16-10-14(22)8-13-9-17(25-19(13)16)20(27)26-7-6-21(12-26)11-18(21)23/h8-10,15,18,24-25H,3-7,11-12,23H2,1-2H3/t15?,18?,21-/m1/s1
InChIKeyMXSDKZHHNWSWEP-ZYKWQNGHSA-N
XLogP4.38
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone?
The IUPAC name of [(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone (CID 163792117) is [(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone.
What is the SMILES notation for [(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone?
The canonical SMILES for [(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone is CCCC(CC)Nc1cc(Cl)cc2cc(C(=O)N3CC[C@@]4(CC4N)C3)[nH]c12.
What is the InChIKey of [(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone?
The InChIKey is MXSDKZHHNWSWEP-ZYKWQNGHSA-N. The full InChI is InChI=1S/C21H29ClN4O/c1-3-5-15(4-2)24-16-10-14(22)8-13-9-17(25-19(13)16)20(27)26-7-6-21(12-26)11-18(21)23/h8-10,15,18,24-25H,3-7,11-12,23H2,1-2H3/t15?,18?,21-/m1/s1.
What are the key properties of [(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone?
[(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone has a molecular weight of 388.94 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-[5-chloro-7-(hexan-3-ylamino)-1H-indol-2-yl]methanone is sourced from PubChem (CID 163792117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).